(3-methylcyclohexyl)methanol

C8H16O — CID 15004795

IUPAC(3-methylcyclohexyl)methanol
SMILESCC1CCCC(CO)C1
InChIInChI=1S/C8H16O/c1-7-3-2-4-8(5-7)6-9/h7-9H,2-6H2,1H3
InChIKeyKGSNUSZZYWSOFK-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.80
Rot. Bonds1

About (3-methylcyclohexyl)methanol

(3-methylcyclohexyl)methanol (PubChem CID 15004795) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is (3-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-methylcyclohexyl)methanol
PubChem CID15004795
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name(3-methylcyclohexyl)methanol
SMILESCC1CCCC(CO)C1
InChIInChI=1S/C8H16O/c1-7-3-2-4-8(5-7)6-9/h7-9H,2-6H2,1H3
InChIKeyKGSNUSZZYWSOFK-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)methanol?
The IUPAC name of (3-methylcyclohexyl)methanol (CID 15004795) is (3-methylcyclohexyl)methanol.
What is the SMILES notation for (3-methylcyclohexyl)methanol?
The canonical SMILES for (3-methylcyclohexyl)methanol is CC1CCCC(CO)C1.
What is the InChIKey of (3-methylcyclohexyl)methanol?
The InChIKey is KGSNUSZZYWSOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-7-3-2-4-8(5-7)6-9/h7-9H,2-6H2,1H3.
What are the key properties of (3-methylcyclohexyl)methanol?
(3-methylcyclohexyl)methanol has a molecular weight of 128.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)methanol is sourced from PubChem (CID 15004795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).