Cas no 38427-80-4 (2(1H)-Naphthalenone,octahydro-4,4a-dimethyl-6-(1-methylethyl)-)
38427-80-4 structure
Product Name:2(1H)-Naphthalenone,octahydro-4,4a-dimethyl-6-(1-methylethyl)-
CAS No:38427-80-4
MF:C15H26O
MW:222.366344928741
CID:298498
PubChem ID:146048061
Update Time:2025-04-19
2(1H)-Naphthalenone,octahydro-4,4a-dimethyl-6-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Naphthalenone,octahydro-4,4a-dimethyl-6-(1-methylethyl)-
- TETRAHYDRONOOTKATONE
- 2(1H)-nap<wbr>
- 6-Isopropyl-4,4a-dimethyloctahydronaphthalen-2(1H)-one
- LogP
- Tetrahydronootkatone, (-)-
- 2(1H)-Naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethyl)-, (4S,4aR,6S,8aR)-
- (-)-Tetrahydronootkatone
- UNII-C9978TMZ6T
- Fema No. 4840, (-)-
- 38427-80-4
- DTXSID001139363
- (4S,4aR,6S,8aR)-Octahydro-4,4a-dimethyl-6-(1-methylethyl)-2(1H)-naphthalenone
- C9978TMZ6T
-
- Inchi： 1S/C15H26O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h10-13H,5-9H2,1-4H3/t11-,12-,13+,15+/m0/s1
- InChI Key： DDJJLKQSWUBTKH-RMRHIDDWSA-N
- SMILES： O=C1C[C@H](C)[C@@]2(C)C[C@@H](C(C)C)CC[C@@H]2C1
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: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.919
- Boiling Point: 292.2°C at 760 mmHg
- Flash Point: 123°C
- Refractive Index: 1.47
- PSA: 17.07
2(1H)-Naphthalenone,octahydro-4,4a-dimethyl-6-(1-methylethyl)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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