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

C11H16O2 — CID 130145147

IUPAC5-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one
SMILESCC12CCCC(O)C1=CCCC2=O
InChIInChI=1S/C11H16O2/c1-11-7-3-5-9(12)8(11)4-2-6-10(11)13/h4,9,12H,2-3,5-7H2,1H3
InChIKeyLAOQDOVJPVABPV-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.83
Rot. Bonds

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

5-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one (PubChem CID 130145147) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one.

Molecular Properties

Compound Name5-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one
PubChem CID130145147
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name5-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one
SMILESCC12CCCC(O)C1=CCCC2=O
InChIInChI=1S/C11H16O2/c1-11-7-3-5-9(12)8(11)4-2-6-10(11)13/h4,9,12H,2-3,5-7H2,1H3
InChIKeyLAOQDOVJPVABPV-UHFFFAOYSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(6-hydroxy-6-methylheptan-2-ylidene)-7a-methyl-4,5,6,7-tetrahydro-2H-inden-4-ol
CID 90870442
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CID 130149139
6-hydroxy-2-(hydroxymethyl)-2-methylcyclohexan-1-one
CID 10583057
2,3-dihydroxy-3-methylcyclohexan-1-one
CID 85393180
2-(3-chloro-2-fluorophenyl)-6-hydroxy-2-methylcyclohexan-1-one
CID 158142988
1,1,8a-trimethyl-4,4a,6,7,8,9,10,10a-octahydro-3H-phenanthren-2-one;methanol
CID 143680898
8-hydroxy-4,8a-dimethyl-2,3,3a,6,7,8-hexahydroazulen-1-one
CID 75992859
2-[(2R,4aR,8aS,10aR)-2,4a,8a-trimethyl-8-oxo-1,3,4,6,7,9,10,10a-octahydrophenanthren-2-yl]acetic acid
CID 101072592
(4aS,8R,10aR)-8-hydroxy-1,1,4a,8a-tetramethyl-3,4,6,7,8,9,10,10a-octahydrophenanthren-2-one
CID 70672762
(10S,13S,14R)-10,13-dimethyl-2,3,6,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-7,17-diol
CID 67055728
(8'aR)-8'a-methylspiro[1,3-dioxolane-2,6'-3,5,7,8-tetrahydro-2H-naphthalene]-1'-one
CID 11183650
cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone
CID 107176497

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one?
The IUPAC name of 5-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one (CID 130145147) is 5-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one.
What is the SMILES notation for 5-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one?
The canonical SMILES for 5-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one is CC12CCCC(O)C1=CCCC2=O.
What is the InChIKey of 5-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one?
The InChIKey is LAOQDOVJPVABPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-11-7-3-5-9(12)8(11)4-2-6-10(11)13/h4,9,12H,2-3,5-7H2,1H3.
What are the key properties of 5-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one?
5-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one is sourced from PubChem (CID 130145147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).