(4-methylcyclohex-3-en-1-yl)methanol

C8H14O — CID 564672

IUPAC(4-methylcyclohex-3-en-1-yl)methanol
SMILESCC1=CCC(CO)CC1
InChIInChI=1S/C8H14O/c1-7-2-4-8(6-9)5-3-7/h2,8-9H,3-6H2,1H3
InChIKeyTXBCFLDVMGKXEO-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.73
Rot. Bonds1

About (4-methylcyclohex-3-en-1-yl)methanol

(4-methylcyclohex-3-en-1-yl)methanol (PubChem CID 564672) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (4-methylcyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name(4-methylcyclohex-3-en-1-yl)methanol
PubChem CID564672
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(4-methylcyclohex-3-en-1-yl)methanol
SMILESCC1=CCC(CO)CC1
InChIInChI=1S/C8H14O/c1-7-2-4-8(6-9)5-3-7/h2,8-9H,3-6H2,1H3
InChIKeyTXBCFLDVMGKXEO-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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 (4-methylcyclohex-3-en-1-yl)methanol?
The IUPAC name of (4-methylcyclohex-3-en-1-yl)methanol (CID 564672) is (4-methylcyclohex-3-en-1-yl)methanol.
What is the SMILES notation for (4-methylcyclohex-3-en-1-yl)methanol?
The canonical SMILES for (4-methylcyclohex-3-en-1-yl)methanol is CC1=CCC(CO)CC1.
What is the InChIKey of (4-methylcyclohex-3-en-1-yl)methanol?
The InChIKey is TXBCFLDVMGKXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-2-4-8(6-9)5-3-7/h2,8-9H,3-6H2,1H3.
What are the key properties of (4-methylcyclohex-3-en-1-yl)methanol?
(4-methylcyclohex-3-en-1-yl)methanol has a molecular weight of 126.20 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 564672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).