Cas no 55332-03-1 (2(1H)-Naphthalenone,octahydro-4a,5-dimethyl-3-(1-methylethyl)-, (3a,4aa,5a,8aa)- (9CI))
55332-03-1 structure
Product Name:2(1H)-Naphthalenone,octahydro-4a,5-dimethyl-3-(1-methylethyl)-, (3a,4aa,5a,8aa)- (9CI)
2(1H)-Naphthalenone,octahydro-4a,5-dimethyl-3-(1-methylethyl)-, (3a,4aa,5a,8aa)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2(1H)-Naphthalenone,octahydro-4a,5-dimethyl-3-(1-methylethyl)-, (3a,4aa,5a,8aa)- (9CI)
- 3-Isopropyl-4a,5-dimethyloctahydro-2(1H)-naphthalenone
- 4a,5-dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
- DTXSID70970680
- 3-Isopropyl-4a,5-dimethyloctahydro-2(1H)-naphthalenone #
- 4a,5-dimethyl-3-(propan-2-yl)octahydronaphthalen-2(1H)-one
- PWZSAANNPRLIRC-UHFFFAOYSA-N
- 2(1H)-Naphthalenone, octahydro-4a,5-dimethyl-3-(1-methylethyl)-, (3.alpha.,4a.alpha.,5.alpha.,8a.alpha.)-
- 55332-03-1
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- Inchi： 1S/C15H26O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h10-13H,5-9H2,1-4H3
- InChI Key： PWZSAANNPRLIRC-UHFFFAOYSA-N
- SMILES： O=C1CC2CCCC(C)C2(C)CC1C(C)C
Computed Properties
- Exact Mass: 222.19848
- Monoisotopic Mass: 222.198
- 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
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 4.5
Experimental Properties
- Density: 0.919
- Boiling Point: 292.2°Cat760mmHg
- Flash Point: 123°C
- Refractive Index: 1.47
- PSA: 17.07
2(1H)-Naphthalenone,octahydro-4a,5-dimethyl-3-(1-methylethyl)-, (3a,4aa,5a,8aa)- (9CI) Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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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