Cas no 24143-52-0 (2(1H)-Naphthalenone,6-(1,1-dimethylethyl)octahydro-, (4aa,6b,8aa)- (9CI))
24143-52-0 structure
Product Name:2(1H)-Naphthalenone,6-(1,1-dimethylethyl)octahydro-, (4aa,6b,8aa)- (9CI)
2(1H)-Naphthalenone,6-(1,1-dimethylethyl)octahydro-, (4aa,6b,8aa)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2(1H)-Naphthalenone,6-(1,1-dimethylethyl)octahydro-, (4aa,6b,8aa)- (9CI)
- 6-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
- 6alpha-tert-Butyl-3,4,4abeta,5,6,7,8,8abeta-octahydronaphthalen-2(1H)-one
- 6-tert-butyloctahydronaphthalen-2(1H)-one
- 24817-24-1
- EINECS 246-474-4
- NS00084110
- 6alpha-tert-Butyl-3,4,4abeta,5,6,7,8,8aalpha-octahydronaphthalen-2(1H)-one
- NS00084742
- DTXSID90946968
- cis,cis-6-tert-Butyloctahydronaphthalen-2(1H)-one
- EINECS 246-033-6
- 24143-52-0
- EINECS 246-473-9
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- Inchi： 1S/C14H24O/c1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12/h10-12H,4-9H2,1-3H3
- InChI Key： QQKVQRVPUCGGKW-UHFFFAOYSA-N
- SMILES： O=C1CCC2CC(C(C)(C)C)CCC2C1
Computed Properties
- Exact Mass: 208.182715
- Monoisotopic Mass: 208.182715
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 249
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 3.9
- Topological Polar Surface Area: 17.1
Experimental Properties
- Density: 0.941
- Boiling Point: 289.4°C at 760 mmHg
- Flash Point: 121.3°C
- Refractive Index: 1.477
2(1H)-Naphthalenone,6-(1,1-dimethylethyl)octahydro-, (4aa,6b,8aa)- (9CI) Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
24143-52-0 (2(1H)-Naphthalenone,6-(1,1-dimethylethyl)octahydro-, (4aa,6b,8aa)- (9CI)) Related Products
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