(4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol

C11H18O — CID 71388370

IUPAC(4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol
SMILESC[C@]12CCC=C(O)[C@H]1CCCC2
InChIInChI=1S/C11H18O/c1-11-7-3-2-5-9(11)10(12)6-4-8-11/h6,9,12H,2-5,7-8H2,1H3/t9-,11+/m1/s1
InChIKeyMYYXDFGQGNFVOW-KOLCDFICSA-N
MW166.26 g/mol
LogP3.42
Rot. Bonds

About (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol

(4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol (PubChem CID 71388370) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol.

Molecular Properties

Compound Name(4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol
PubChem CID71388370
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol
SMILESC[C@]12CCC=C(O)[C@H]1CCCC2
InChIInChI=1S/C11H18O/c1-11-7-3-2-5-9(11)10(12)6-4-8-11/h6,9,12H,2-5,7-8H2,1H3/t9-,11+/m1/s1
InChIKeyMYYXDFGQGNFVOW-KOLCDFICSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol 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

10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CID 618366
(1S)-3-[(E)-2-[(3aR,7aS)-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-3-en-1-ol
CID 15558481
(1-methylcyclopentyl)cyclohexane
CID 13217819
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
(9R,10S,13S,14R)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 22295618
5,5-dimethylcyclopenten-1-ol
CID 100967958
2,2-dimethylcyclohexan-1-ol
CID 557637
1-(1,2-dimethylcyclohexyl)-1H-silole
CID 173307881
1-(cyclopenten-1-yl)-2-methylcyclohexan-1-ol
CID 66801942
2-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol;methane
CID 157399414
13-methyl-6,7,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-ol
CID 142815625
1-methylcyclopent-2-ene-1,2-diol
CID 70255213

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol?
The IUPAC name of (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol (CID 71388370) is (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol.
What is the SMILES notation for (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol?
The canonical SMILES for (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol is C[C@]12CCC=C(O)[C@H]1CCCC2.
What is the InChIKey of (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol?
The InChIKey is MYYXDFGQGNFVOW-KOLCDFICSA-N. The full InChI is InChI=1S/C11H18O/c1-11-7-3-2-5-9(11)10(12)6-4-8-11/h6,9,12H,2-5,7-8H2,1H3/t9-,11+/m1/s1.
What are the key properties of (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol?
(4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol has a molecular weight of 166.26 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-4a-methyl-4,5,6,7,8,8a-hexahydro-3H-naphthalen-1-ol is sourced from PubChem (CID 71388370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).