Cas no 17990-00-0 (2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,8-dimethyl-, (4aR,8R)-rel-)
17990-00-0 structure
Product Name:2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,8-dimethyl-, (4aR,8R)-rel-
CAS No:17990-00-0
MF:C12H18O
MW:178.270723819733
CID:236677
PubChem ID:107219
Update Time:2025-04-19
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,8-dimethyl-, (4aR,8R)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,8-dimethyl-, (4aR,8R)-rel-
- 4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
- (4aS*,8S*)-4a,8-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
- (6RS,10RS)-6,10-dimethylbicyclo[4.4.0]dec-1-en-3-one
- 4,8a-dimethyl-1,2,3,4,6,7,8,8a-octal-6-one
- 4a,8-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3h)-one
- 8,10-Dimethyl-1(9)-octalon-(2)
- AC1L31PB
- AC1Q6I4R
- AR-1G0312
- EINECS 223-782-7
- NSC126342
- trans-8,10-Dimethyl-2-oxo-2,3,4,5,6,7,8,10-octahydronaphthalin
- DTXSID10961113
- 17990-00-0
- NSC-126342
- 6S,10R-Dimethylbicyclo[4.4.0]decan-1-en3-one
- (4aS,8R)-4a,8-Dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
- NS00049331
- DTXSID50276031
- KLTKQWRPJDRMTL-UHFFFAOYSA-N
- A826122
- 4071-63-0
- Bicyclo[4.4.0]decan-1-en3-one, 6S,10R-dimethyl-
- 4,4a,5,6,7,8-Hexahydro-4a,8-dimethylnaphthalen-2(3H)-one
- SCHEMBL11671628
-
- Inchi： 1S/C12H18O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h8-9H,3-7H2,1-2H3
- InChI Key： KLTKQWRPJDRMTL-UHFFFAOYSA-N
- SMILES： O=C1C=C2C(C)CCCC2(C)CC1
Computed Properties
- Exact Mass: 178.13584
- Monoisotopic Mass: 178.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 264
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
- LogP: 3.10200
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,8-dimethyl-, (4aR,8R)-rel- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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