Cas no 25436-90-2 (2-Pentenoic acid,3-methyl-5-[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]-,(2E)-)

2-Pentenoic acid,3-methyl-5-[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]-,(2E)- structure
25436-90-2 structure
Product Name:2-Pentenoic acid,3-methyl-5-[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]-,(2E)-
CAS No:25436-90-2
MF:C20H32O2
MW:304.466886520386
CID:256771
PubChem ID:6441458
Update Time:2025-04-19

2-Pentenoic acid,3-methyl-5-[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]-,(2E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Pentenoic acid,3-methyl-5-[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]-,(2E)-
    • SMR000156255
    • cid_6441458
    • BDBM68055
    • (E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-2-pentenoic acid
    • MLS000574890
    • Kolavenic acid
    • HMS2218L20
    • (E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
    • Cleroda-3,13E-dien-15-oic acid
    • 2-Pentenoic acid, 3-methyl-5-(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)-, (1S-(1alpha(E),2beta,4abeta,8aalpha))-
    • (E)-5-[(1S, 2R, 4aR, 8aR)-1, 2, 4a, 5-tetramethyl-2, 3, 4, 7, 8, 8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
    • CHEMBL1517738
    • REGID_for_CID_6441458
    • 25436-90-2
    • NCGC00247604-01
    • (E)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pent-2-enoic acid
    • Inchi： 1S/C20H32O2/c1-14(13-18(21)22)9-11-19(4)16(3)10-12-20(5)15(2)7-6-8-17(19)20/h7,13,16-17H,6,8-12H2,1-5H3,(H,21,22)/b14-13+/t16-,17-,19+,20+/m1/s1
    • InChI Key： NLVMTSRTOGOFQD-MWRQYBNOSA-N
    • SMILES： OC(/C=C(\C)/CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12)=O

Computed Properties

  • Exact Mass: 304.24
  • Monoisotopic Mass: 304.24
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 502
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.2
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 0.968
  • Boiling Point: 416.1°C at 760 mmHg
  • Flash Point: 310.8°C
  • Refractive Index: 1.495
  • LogP: 5.59630

2-Pentenoic acid,3-methyl-5-[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]-,(2E)- Related Literature

Related Categories

25436-90-2 (2-Pentenoic acid,3-methyl-5-[(1S,2R,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]-,(2E)-) Related Products

Recommended suppliers
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司