(3,4-dimethylcyclohexyl)methanol

C9H18O — CID 22708626

IUPAC(3,4-dimethylcyclohexyl)methanol
SMILESCC1CCC(CO)CC1C
InChIInChI=1S/C9H18O/c1-7-3-4-9(6-10)5-8(7)2/h7-10H,3-6H2,1-2H3
InChIKeyJBEUJBUQQDEQNV-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.05
Rot. Bonds1

About (3,4-dimethylcyclohexyl)methanol

(3,4-dimethylcyclohexyl)methanol (PubChem CID 22708626) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)methanol
PubChem CID22708626
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3,4-dimethylcyclohexyl)methanol
SMILESCC1CCC(CO)CC1C
InChIInChI=1S/C9H18O/c1-7-3-4-9(6-10)5-8(7)2/h7-10H,3-6H2,1-2H3
InChIKeyJBEUJBUQQDEQNV-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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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)methanol?
The IUPAC name of (3,4-dimethylcyclohexyl)methanol (CID 22708626) is (3,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for (3,4-dimethylcyclohexyl)methanol?
The canonical SMILES for (3,4-dimethylcyclohexyl)methanol is CC1CCC(CO)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)methanol?
The InChIKey is JBEUJBUQQDEQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7-3-4-9(6-10)5-8(7)2/h7-10H,3-6H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl)methanol?
(3,4-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 (3,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 22708626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).