8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol

C11H18O — CID 11194541

IUPAC8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol
SMILESCC12CCCC=C1CCCC2O
InChIInChI=1S/C11H18O/c1-11-8-3-2-5-9(11)6-4-7-10(11)12/h5,10,12H,2-4,6-8H2,1H3
InChIKeyVEKMLSHPAQDUTQ-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.65
Rot. Bonds

About 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol

8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol (PubChem CID 11194541) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol.

Molecular Properties

Compound Name8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol
PubChem CID11194541
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol
SMILESCC12CCCC=C1CCCC2O
InChIInChI=1S/C11H18O/c1-11-8-3-2-5-9(11)6-4-7-10(11)12/h5,10,12H,2-4,6-8H2,1H3
InChIKeyVEKMLSHPAQDUTQ-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(8S,9R,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 124911550
4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 134192898
(2S)-2-[(1R,7aR)-7a-methyl-1,2,3,5,6,7-hexahydroinden-1-yl]propan-1-ol
CID 11850746
(8R,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16,17-diol
CID 25112725
(8R,9S,10R,13S,14S)-17-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthren-15-one
CID 152652399
(8S,9S,10R,13S,14R)-10-methyl-1,2,3,6,7,8,9,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 141221987
(8S,9S,10R,11R,13S,14S,16R,17S)-16-fluoro-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-11,17-diol
CID 67024757
(8S,9R,10R,13S,14S)-17-fluoro-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-11,17-diol
CID 91600380
1-(cyclohexen-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 106651138
(8R,9S,10R,13S,14S,16R,17S)-16-fluoro-13-(hydroxymethyl)-10-methyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 67024797
(8S,9S,10R,13S,14S,17R)-11-hydroxy-17-(2-hydroxyethyl)-10-methyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carbaldehyde
CID 90866358
8a-methyl-2,2a,3,5,6,7,8,8b-octahydro-1H-cyclobuta[a]naphthalene
CID 143187513

Frequently Asked Questions

What is the IUPAC name of 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol?
The IUPAC name of 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol (CID 11194541) is 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol.
What is the SMILES notation for 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol?
The canonical SMILES for 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol is CC12CCCC=C1CCCC2O.
What is the InChIKey of 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol?
The InChIKey is VEKMLSHPAQDUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-11-8-3-2-5-9(11)6-4-7-10(11)12/h5,10,12H,2-4,6-8H2,1H3.
What are the key properties of 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol?
8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol is sourced from PubChem (CID 11194541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).