8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one

C11H18O2 — CID 131858050

IUPAC8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
SMILESCC1CC2CCCCC2(O)CC1=O
InChIInChI=1S/C11H18O2/c1-8-6-9-4-2-3-5-11(9,13)7-10(8)12/h8-9,13H,2-7H2,1H3
InChIKeyDNLZIIDTYAAGSY-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.91
Rot. Bonds

About 8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one

8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one (PubChem CID 131858050) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one.

Molecular Properties

Compound Name8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
PubChem CID131858050
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
SMILESCC1CC2CCCCC2(O)CC1=O
InChIInChI=1S/C11H18O2/c1-8-6-9-4-2-3-5-11(9,13)7-10(8)12/h8-9,13H,2-7H2,1H3
InChIKeyDNLZIIDTYAAGSY-UHFFFAOYSA-N
XLogP1.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3aR,7aR)-2-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 101060141
(4aS,8aS)-6-tert-butyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
CID 10727086
(3aS)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 102059632
(1S,11R,14S)-1-hydroxy-14-methylbicyclo[9.4.0]pentadecan-12-one
CID 45380105
4a-hydroxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 91357304
(4aS,9aS)-4a-hydroxy-5,6,7,8,9,9a-hexahydro-4H-benzo[7]annulene-1,3-dione
CID 139124857
1-cycloheptyl-3-(trifluoromethyl)cycloheptan-1-ol
CID 152741278
(1S,2S,7S,9S)-2-hydroxytricyclo[7.2.1.02,7]dodecan-12-one
CID 98134055
4-hydroxy-5,6-dimethylbicyclo[2.2.2]octan-2-one
CID 85247154
1-cyclohexyl-2-methylcyclohexan-1-ol
CID 43809284
(1R,2R,7R,9S)-2-hydroxytricyclo[7.3.1.02,7]tridecan-13-one
CID 1426479
(2R,4aS)-2,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 67848050

Frequently Asked Questions

What is the IUPAC name of 8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one?
The IUPAC name of 8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one (CID 131858050) is 8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one.
What is the SMILES notation for 8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one?
The canonical SMILES for 8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one is CC1CC2CCCCC2(O)CC1=O.
What is the InChIKey of 8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one?
The InChIKey is DNLZIIDTYAAGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-6-9-4-2-3-5-11(9,13)7-10(8)12/h8-9,13H,2-7H2,1H3.
What are the key properties of 8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one?
8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one has a molecular weight of 182.26 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-3-methyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one is sourced from PubChem (CID 131858050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).