Cas no 17429-21-9 (2(1H)-Naphthalenone,4a,5,8,8a-tetrahydro-4a-methyl-, (4aR,8aS)-rel-)
17429-21-9 structure
Product Name:2(1H)-Naphthalenone,4a,5,8,8a-tetrahydro-4a-methyl-, (4aR,8aS)-rel-
CAS No:17429-21-9
MF:C11H14O
MW:162.228263378143
CID:236070
PubChem ID:350894
Update Time:2025-04-19
2(1H)-Naphthalenone,4a,5,8,8a-tetrahydro-4a-methyl-, (4aR,8aS)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Naphthalenone,4a,5,8,8a-tetrahydro-4a-methyl-, (4aR,8aS)-rel-
- 4a-methyl-1,5,8,8a-tetrahydronaphthalen-2-one
- (4aR)-4a-methyl-trans-4a,5,8,8a-tetrahydro-1H-naphthalen-2-one
- (4aR)-4a-Methyl-trans-4a,5,8,8a-tetrahydro-1H-naphthalin-2-on
- 2(1H)-Naphthalenone, 4a,5,8,8a-tetrahydro-4a-methyl-, trans-
- 2(1H)-Naphthalenone,5,8,8a-tetrahydro-4a-methyl-, trans-
- 4a-Methyl-4a,5,8,8a-tetrahydro-2(1H)-naphthalenone
- AC1L6X7Z
- NSC516519
- 4a-Methyl-4a,5,8,8a-tetrahydro-2(1H)-naphthalenone #
- 17429-21-9
- DTXSID80325728
- HAJWWOSVOWYULL-UHFFFAOYSA-N
- AKOS024323071
- NSC-516519
-
- Inchi： 1S/C11H14O/c1-11-6-3-2-4-9(11)8-10(12)5-7-11/h2-3,5,7,9H,4,6,8H2,1H3
- InChI Key： HAJWWOSVOWYULL-UHFFFAOYSA-N
- SMILES： O=C1C=CC2(C)CC=CCC2C1
Computed Properties
- Exact Mass: 162.10452
- Monoisotopic Mass: 162.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 262
- 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: 2.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
- LogP: 2.48790
2(1H)-Naphthalenone,4a,5,8,8a-tetrahydro-4a-methyl-, (4aR,8aS)-rel- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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