Cas no 116044-44-1 (Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, 3-(1-methylethyl)-, ethyl ester, (1R,2S,3S,4S)-rel-)

Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, 3-(1-methylethyl)-, ethyl ester, (1R,2S,3S,4S)-rel- structure
116044-44-1 structure
Product Name:Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, 3-(1-methylethyl)-, ethyl ester, (1R,2S,3S,4S)-rel-
CAS No:116044-44-1
MF:C13H20O2
MW:208.296704292297
CID:166149
PubChem ID:15904484
Update Time:2025-04-19

Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, 3-(1-methylethyl)-, ethyl ester, (1R,2S,3S,4S)-rel- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, 3-(1-methylethyl)-, ethyl ester, (1R,2S,3S,4S)-rel-
    • BICYCLO(2.2.1)HEPT-5-ENE-2-CARBOXYLIC ACID, 3-(1-METHYLETHYL)-ETHYL ESTER
    • HERBANATE
    • 3-exo)--end
    • bicyclo[2.2.1]hept-5-ene-2-carboxylic
    • ethyl isopropyl bicycloheptene-2-carboxylate
    • bicyclo[2.2.1]hept-5-ene-2-carboxylicacid,3-(1-methylethyl)-,ethyl
    • bicyclo[2.2.1]hept-5-ene-2-carboxylicacid,3-(1-methylethyl)-,ethylester,(2
    • 3-(1-methylethyl)-,ethylester,(2-endo,3-exo)-bicyclo[2.2.1]hept-5-ene-2-carboxylicaci
    • bicyclo[2.2.1]hept-5-ene-2-carboxylicacid,3-(1-methylethyl)-,ethylester,(2-endo,3-exo)-
    • SCHEMBL2160382
    • 116044-44-1
    • ethyl 3-isopropyl-5-bicyclo[2.2.1]heptene-2-carboxylate
    • HJEFAEQTNTXLHL-UHFFFAOYSA-N
    • DTXSID40861233
    • Ethyl 3-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
    • 210035-91-9
    • Ethyl 3-(2-propanyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
    • Inchi： 1S/C13H20O2/c1-4-15-13(14)12-10-6-5-9(7-10)11(12)8(2)3/h5-6,8-12H,4,7H2,1-3H3
    • InChI Key： HJEFAEQTNTXLHL-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1C2C=CC(C2)C1C(C)C)=O

Computed Properties

  • Exact Mass: 208.14600
  • Monoisotopic Mass: 208.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 280
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • Refractive Index: 1.491
  • PSA: 37.30000
  • LogP: 2.94550

Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, 3-(1-methylethyl)-, ethyl ester, (1R,2S,3S,4S)-rel- Related Literature

116044-44-1 (Bicyclo[2.2.1]hept-5-ene-2-carboxylicacid, 3-(1-methylethyl)-, ethyl ester, (1R,2S,3S,4S)-rel-) Related Products

Recommended suppliers
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Zhangzhou Sinobioway Peptide Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zhangzhou Sinobioway Peptide Co.,Ltd.
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Senfeida Chemical Co., Ltd
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd