4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol

C12H22O2 — CID 163112005

IUPAC4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol
SMILESCC1CC(O)CC2(C)CCCCC12O
InChIInChI=1S/C12H22O2/c1-9-7-10(13)8-11(2)5-3-4-6-12(9,11)14/h9-10,13-14H,3-8H2,1-2H3
InChIKeyOQIGNCVFNGJBAL-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.09
Rot. Bonds

About 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol

4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol (PubChem CID 163112005) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol.

Molecular Properties

Compound Name4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol
PubChem CID163112005
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol
SMILESCC1CC(O)CC2(C)CCCCC12O
InChIInChI=1S/C12H22O2/c1-9-7-10(13)8-11(2)5-3-4-6-12(9,11)14/h9-10,13-14H,3-8H2,1-2H3
InChIKeyOQIGNCVFNGJBAL-UHFFFAOYSA-N
XLogP2.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-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

(4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
CID 3032717
2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol
CID 130369263
(1R,5R,7S)-7-(hydroxymethyl)-5-methylbicyclo[3.2.0]heptan-1-ol
CID 130762528
4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol
CID 162816105
4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 130126609
(1R,4S,6R)-1-(2-hydroxyethyl)-2,2,6-trimethylcyclohexane-1,4-diol
CID 98789228
4-methyl-3,3-bis(methylsulfanyl)cyclopentan-1-ol
CID 23238990
(4aR,8aS)-8a-methyl-4-nitro-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
CID 134863664
lithium 1-methylcyclopentan-1-ol
CID 18764027
trans-(3S,5S)-4,4,5-trimethylcyclohexane-1,3-diol
CID 118049120
(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
CID 160715479
2-methylcyclopropane-1,1-diol
CID 68932442

Frequently Asked Questions

What is the IUPAC name of 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol?
The IUPAC name of 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol (CID 163112005) is 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol.
What is the SMILES notation for 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol?
The canonical SMILES for 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol is CC1CC(O)CC2(C)CCCCC12O.
What is the InChIKey of 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol?
The InChIKey is OQIGNCVFNGJBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9-7-10(13)8-11(2)5-3-4-6-12(9,11)14/h9-10,13-14H,3-8H2,1-2H3.
What are the key properties of 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol?
4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol has a molecular weight of 198.31 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol is sourced from PubChem (CID 163112005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).