4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol

C12H22O — CID 130126609

IUPAC4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
SMILESCC1CC(O)CC2CCCCC12C
InChIInChI=1S/C12H22O/c1-9-7-11(13)8-10-5-3-4-6-12(9,10)2/h9-11,13H,3-8H2,1-2H3
InChIKeyWBLFVBDOCSVBMP-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.97
Rot. Bonds

About 4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol

4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol (PubChem CID 130126609) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
PubChem CID130126609
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
SMILESCC1CC(O)CC2CCCCC12C
InChIInChI=1S/C12H22O/c1-9-7-11(13)8-10-5-3-4-6-12(9,10)2/h9-11,13H,3-8H2,1-2H3
InChIKeyWBLFVBDOCSVBMP-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol with MolForge

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Related Compounds

(7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane
CID 142069043
4-hydroxy-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-2-carbonitrile
CID 12673531
1-cyclohexyl-1,2-dimethylcyclohexane;1,1-diaminourea;methane
CID 174842963
(5R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
CID 45043725
4a-methyl-5-[2-(1-methylcyclopentyl)ethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol
CID 123883946
1-(2-hydroxy-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)ethanone
CID 15210262
2,2-dimethylcyclohexan-1-ol
CID 557637
5,5-dimethylcyclononan-1-ol
CID 130122952
(3R,3aS,7aS)-3,3a,7,7-tetramethyl-2,3,4,5,6,7a-hexahydro-1H-inden-1-ol
CID 90388891
(5R,8R,9S,10S,13S,14S,16R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol
CID 11917288
(5R,8R,9R,10S,13R,14R,16R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-ol
CID 7829981
(3S,5R,8S,9S,10S,13R,14S,17S)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 130339185

Frequently Asked Questions

What is the IUPAC name of 4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The IUPAC name of 4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol (CID 130126609) is 4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol.
What is the SMILES notation for 4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The canonical SMILES for 4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol is CC1CC(O)CC2CCCCC12C.
What is the InChIKey of 4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
The InChIKey is WBLFVBDOCSVBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9-7-11(13)8-10-5-3-4-6-12(9,10)2/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol?
4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol has a molecular weight of 182.31 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 130126609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).