8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol

C11H20O2 — CID 163558488

IUPAC8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol
SMILESCC1CCCC2(O)CCCC(O)C12
InChIInChI=1S/C11H20O2/c1-8-4-2-6-11(13)7-3-5-9(12)10(8)11/h8-10,12-13H,2-7H2,1H3
InChIKeyFPEJWRCJXYHKCO-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.70
Rot. Bonds

About 8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol

8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol (PubChem CID 163558488) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol.

Molecular Properties

Compound Name8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol
PubChem CID163558488
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol
SMILESCC1CCCC2(O)CCCC(O)C12
InChIInChI=1S/C11H20O2/c1-8-4-2-6-11(13)7-3-5-9(12)10(8)11/h8-10,12-13H,2-7H2,1H3
InChIKeyFPEJWRCJXYHKCO-UHFFFAOYSA-N
XLogP1.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol 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

cis-(1S,2R)-2-methylcyclopentan-1-ol
CID 642631
2-methylcyclododecan-1-ol
CID 13130078
ethane;(1R)-2-methylcyclohexan-1-ol
CID 142359109
ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol
CID 143642035
(1R,3aR,8R,8aR)-8-hydroxy-1,3a-dimethyl-1,2,3,5,6,7,8,8a-octahydroazulen-4-one
CID 125113731
4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-ol
CID 74931871
ethane;2-methylcyclohexan-1-ol;2-methylcyclopentan-1-ol
CID 157029785
(2S)-2,3-dimethylcyclohexan-1-ol
CID 163715322
(1R,2S,4aR,8S,8aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-ol
CID 91489543
(1S,2R,3R)-2-amino-3-methylcyclohexan-1-ol
CID 90137025
trans-(1R,2R)-2-[methyl-(2-methylcyclohexyl)amino]cyclohexan-1-ol
CID 102732058
(3R,3aS,4S,5S,8aR)-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-2,3,3a,4,5,6,7,8-octahydro-1H-azulen-4-ol
CID 102033115

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol?
The IUPAC name of 8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol (CID 163558488) is 8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol.
What is the SMILES notation for 8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol?
The canonical SMILES for 8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol is CC1CCCC2(O)CCCC(O)C12.
What is the InChIKey of 8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol?
The InChIKey is FPEJWRCJXYHKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-4-2-6-11(13)7-3-5-9(12)10(8)11/h8-10,12-13H,2-7H2,1H3.
What are the key properties of 8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol?
8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol has a molecular weight of 184.28 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-1,4a-diol is sourced from PubChem (CID 163558488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).