(2-methylcyclohexen-1-yl)methanol

C8H14O — CID 565411

IUPAC(2-methylcyclohexen-1-yl)methanol
SMILESCC1=C(CO)CCCC1
InChIInChI=1S/C8H14O/c1-7-4-2-3-5-8(7)6-9/h9H,2-6H2,1H3
InChIKeyHQJRTBCIHIBGOB-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.87
Rot. Bonds1

About (2-methylcyclohexen-1-yl)methanol

(2-methylcyclohexen-1-yl)methanol (PubChem CID 565411) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2-methylcyclohexen-1-yl)methanol.

Molecular Properties

Compound Name(2-methylcyclohexen-1-yl)methanol
PubChem CID565411
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2-methylcyclohexen-1-yl)methanol
SMILESCC1=C(CO)CCCC1
InChIInChI=1S/C8H14O/c1-7-4-2-3-5-8(7)6-9/h9H,2-6H2,1H3
InChIKeyHQJRTBCIHIBGOB-UHFFFAOYSA-N
XLogP1.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexen-1-yl)methanol?
The IUPAC name of (2-methylcyclohexen-1-yl)methanol (CID 565411) is (2-methylcyclohexen-1-yl)methanol.
What is the SMILES notation for (2-methylcyclohexen-1-yl)methanol?
The canonical SMILES for (2-methylcyclohexen-1-yl)methanol is CC1=C(CO)CCCC1.
What is the InChIKey of (2-methylcyclohexen-1-yl)methanol?
The InChIKey is HQJRTBCIHIBGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-4-2-3-5-8(7)6-9/h9H,2-6H2,1H3.
What are the key properties of (2-methylcyclohexen-1-yl)methanol?
(2-methylcyclohexen-1-yl)methanol has a molecular weight of 126.20 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexen-1-yl)methanol is sourced from PubChem (CID 565411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).