2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol

C17H32O2 — CID 140524939

IUPAC2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
SMILESCC1CCC(C)C(CC2C(C)CCC(C)C2O)C1O
InChIInChI=1S/C17H32O2/c1-10-5-7-12(3)16(18)14(10)9-15-11(2)6-8-13(4)17(15)19/h10-19H,5-9H2,1-4H3
InChIKeyJYVOMMMWCHXPTH-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.46
Rot. Bonds2

About 2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol

2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol (PubChem CID 140524939) has the molecular formula C17H32O2 and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
PubChem CID140524939
Molecular FormulaC17H32O2
Molecular Weight268.44 g/mol
Exact Mass268.24
IUPAC Name2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
SMILESCC1CCC(C)C(CC2C(C)CCC(C)C2O)C1O
InChIInChI=1S/C17H32O2/c1-10-5-7-12(3)16(18)14(10)9-15-11(2)6-8-13(4)17(15)19/h10-19H,5-9H2,1-4H3
InChIKeyJYVOMMMWCHXPTH-UHFFFAOYSA-N
XLogP3.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-3,6-dimethylcyclohexan-1-ol
CID 58534485
cis-(1R,2S)-3-methylcyclopentane-1,2-diol
CID 66664692
(1S,2R,3S)-3-methylcyclopentane-1,2-diol
CID 11863599
cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol
CID 162070129
cis-(2S,5S)-2-ethyl-5-methylcyclopentan-1-ol;ethane
CID 142059714
(1S,2S,3R)-2-(aminomethyl)-3-methylcyclopentan-1-ol
CID 95757404
2,3,5-trimethylcycloheptane-1,4-diol
CID 123379780
(1S,2S,3R,6R)-3-methylbicyclo[4.1.0]heptan-2-ol
CID 131124362
trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
CID 70559750
trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
CID 130927478
2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
CID 140638061
3-butan-2-yl-2,6-dimethylcyclohexan-1-ol
CID 58534554

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol?
The IUPAC name of 2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol (CID 140524939) is 2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol is CC1CCC(C)C(CC2C(C)CCC(C)C2O)C1O.
What is the InChIKey of 2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol?
The InChIKey is JYVOMMMWCHXPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2/c1-10-5-7-12(3)16(18)14(10)9-15-11(2)6-8-13(4)17(15)19/h10-19H,5-9H2,1-4H3.
What are the key properties of 2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol?
2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3,6-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 140524939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).