(2,3-dimethylcyclohexyl)methanol

C9H18O — CID 58590234

IUPAC(2,3-dimethylcyclohexyl)methanol
SMILESCC1CCCC(CO)C1C
InChIInChI=1S/C9H18O/c1-7-4-3-5-9(6-10)8(7)2/h7-10H,3-6H2,1-2H3
InChIKeyHKVFMWLTWZCJHY-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.05
Rot. Bonds1

About (2,3-dimethylcyclohexyl)methanol

(2,3-dimethylcyclohexyl)methanol (PubChem CID 58590234) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (2,3-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(2,3-dimethylcyclohexyl)methanol
PubChem CID58590234
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(2,3-dimethylcyclohexyl)methanol
SMILESCC1CCCC(CO)C1C
InChIInChI=1S/C9H18O/c1-7-4-3-5-9(6-10)8(7)2/h7-10H,3-6H2,1-2H3
InChIKeyHKVFMWLTWZCJHY-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261
cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
CID 142244795
1-methyl-2-[(2-methylcyclopentyl)methyl]cyclopentane
CID 148598305
[2-[(2-methylcyclopentyl)amino]cyclopropyl]methanol
CID 130694264
[(1S,2S)-2-methylcyclopropyl]methanol
CID 7869082
1-butyl-2,3-dimethylcycloheptane
CID 123688488
1-(chloromethyl)-2-methylcyclopentane
CID 13459403
[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium
CID 11862774
(2S)-2,3-dimethylcyclohexan-1-ol
CID 163715322
1,2,3-trimethylcycloheptane
CID 54005509
[(2S,3S,3aR,4R,7aS)-2,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]methanol
CID 129413335
(3-methyl-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)methanol
CID 112757608

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylcyclohexyl)methanol?
The IUPAC name of (2,3-dimethylcyclohexyl)methanol (CID 58590234) is (2,3-dimethylcyclohexyl)methanol.
What is the SMILES notation for (2,3-dimethylcyclohexyl)methanol?
The canonical SMILES for (2,3-dimethylcyclohexyl)methanol is CC1CCCC(CO)C1C.
What is the InChIKey of (2,3-dimethylcyclohexyl)methanol?
The InChIKey is HKVFMWLTWZCJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7-4-3-5-9(6-10)8(7)2/h7-10H,3-6H2,1-2H3.
What are the key properties of (2,3-dimethylcyclohexyl)methanol?
(2,3-dimethylcyclohexyl)methanol has a molecular weight of 142.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylcyclohexyl)methanol is sourced from PubChem (CID 58590234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).