Cas no 55332-02-0 (4a,5-dimethyl-3-(propan-2-yl)octahydronaphthalen-1(2H)-one)
55332-02-0 structure
Product Name:4a,5-dimethyl-3-(propan-2-yl)octahydronaphthalen-1(2H)-one
CAS No:55332-02-0
MF:C15H26O
MW:222.366344928741
CID:1593123
PubChem ID:41426
Update Time:2025-04-21
4a,5-dimethyl-3-(propan-2-yl)octahydronaphthalen-1(2H)-one Chemical and Physical Properties
Names and Identifiers
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- 4a,5-dimethyl-3-(propan-2-yl)octahydronaphthalen-1(2H)-one
- 4a,5-dimethyl-3-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
- DTXSID60970679
- 55332-02-0
-
- Inchi： 1S/C15H26O/c1-10(2)12-8-14(16)13-7-5-6-11(3)15(13,4)9-12/h10-13H,5-9H2,1-4H3
- InChI Key： XWJOSENQVBWBGM-UHFFFAOYSA-N
- SMILES： O=C1CC(C(C)C)CC2(C)C(C)CCCC21
Computed Properties
- Exact Mass: 222.19848
- Monoisotopic Mass: 222.198365449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 281
- 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: 4.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
4a,5-dimethyl-3-(propan-2-yl)octahydronaphthalen-1(2H)-one Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
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