2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

C18H32O — CID 115401241

IUPAC2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1CC(C)CC(C2(O)C3(C)CCC(C3)C2(C)C)C1
InChIInChI=1S/C18H32O/c1-12-8-13(2)10-15(9-12)18(19)16(3,4)14-6-7-17(18,5)11-14/h12-15,19H,6-11H2,1-5H3
InChIKeyJMOVTPRXGIDOJF-UHFFFAOYSA-N
MW264.45 g/mol
LogP4.64
Rot. Bonds1

About 2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 115401241) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID115401241
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1CC(C)CC(C2(O)C3(C)CCC(C3)C2(C)C)C1
InChIInChI=1S/C18H32O/c1-12-8-13(2)10-15(9-12)18(19)16(3,4)14-6-7-17(18,5)11-14/h12-15,19H,6-11H2,1-5H3
InChIKeyJMOVTPRXGIDOJF-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,3-trimethyl-2-(4-methylpiperidin-2-yl)bicyclo[2.2.1]heptan-2-ol
CID 113302815
1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol
CID 115401216
(1R,2S,4S)-2-tert-butyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 101234251
1,3,3-trimethyl-2-(3,3,3-trifluoropropyl)bicyclo[2.2.1]heptan-2-ol
CID 115401258
1,3,3-trimethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol
CID 115401248
(1R,2S,4S)-1,3,3-trimethyl-2-[[(2R)-oxiran-2-yl]methyl]bicyclo[2.2.1]heptan-2-ol
CID 100962458
2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401309
(1R,2R,4S)-2-[(2R)-2-hydroxypropyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10878485
1-methylbicyclo[2.2.1]heptane-7,7-diol
CID 154099151
1-(3,5-dimethylcyclohexyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428456
(1R,2S,4S)-2-[5-[(1R,2S,4S)-2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylidenepentyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 102183355
2-(2,3-difluoro-4-methylphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 107512332

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (CID 115401241) is 2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is CC1CC(C)CC(C2(O)C3(C)CCC(C3)C2(C)C)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is JMOVTPRXGIDOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-12-8-13(2)10-15(9-12)18(19)16(3,4)14-6-7-17(18,5)11-14/h12-15,19H,6-11H2,1-5H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 264.45 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 115401241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).