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

C10H16O2 — CID 574047

IUPAC8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
SMILESO=C1CCCC2CCCCC12O
InChIInChI=1S/C10H16O2/c11-9-6-3-5-8-4-1-2-7-10(8,9)12/h8,12H,1-7H2
InChIKeyZFOOVBJHEUWTSZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.66
Rot. Bonds

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

8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one (PubChem CID 574047) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one.

Molecular Properties

Compound Name8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
PubChem CID574047
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
SMILESO=C1CCCC2CCCCC12O
InChIInChI=1S/C10H16O2/c11-9-6-3-5-8-4-1-2-7-10(8,9)12/h8,12H,1-7H2
InChIKeyZFOOVBJHEUWTSZ-UHFFFAOYSA-N
XLogP1.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aS,8aR)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 15440509
(4aS,8aS)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
CID 40488528
4a-Hydroxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 91357304
2-Cyclohexyl-2-hydroxycyclohexan-1-one
CID 121007224
trans-1-Acetyl-2-methylcyclohexanol
CID 129807943
Cis-bicyclo[4.4.0]decan-1-ol-3-one
CID 544222
(4aS,8aR)-8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one
CID 12921401
(4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-one
CID 41097381
1-[(1S,4aR,8aR)-8a-hydroxy-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-1-yl]ethanone
CID 101153661
(2S)-2-cyclohexyl-2-hydroxycyclohexan-1-one
CID 101445112
(4aS,7R,8aS)-8a-hydroxy-4a-methyl-7-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 164679178
(4aR,8aR)-8a-hydroxy-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
CID 14040827

Frequently Asked Questions

What is the IUPAC name of 8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one?
The IUPAC name of 8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one (CID 574047) is 8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one.
What is the SMILES notation for 8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one?
The canonical SMILES for 8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one is O=C1CCCC2CCCCC12O.
What is the InChIKey of 8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one?
The InChIKey is ZFOOVBJHEUWTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-9-6-3-5-8-4-1-2-7-10(8,9)12/h8,12H,1-7H2.
What are the key properties of 8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one?
8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-2,3,4,4a,5,6,7,8-octahydronaphthalen-1-one is sourced from PubChem (CID 574047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).