4-(hydroxymethyl)-5-methylcyclohex-2-en-1-ol

C8H14O2 — CID 14635278

IUPAC4-(hydroxymethyl)-5-methylcyclohex-2-en-1-ol
SMILESCC1CC(O)C=CC1CO
InChIInChI=1S/C8H14O2/c1-6-4-8(10)3-2-7(6)5-9/h2-3,6-10H,4-5H2,1H3
InChIKeyUMUFTPNPRQPXKF-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.55
Rot. Bonds1

About 4-(hydroxymethyl)-5-methylcyclohex-2-en-1-ol

4-(hydroxymethyl)-5-methylcyclohex-2-en-1-ol (PubChem CID 14635278) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-methylcyclohex-2-en-1-ol
PubChem CID14635278
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-(hydroxymethyl)-5-methylcyclohex-2-en-1-ol
SMILESCC1CC(O)C=CC1CO
InChIInChI=1S/C8H14O2/c1-6-4-8(10)3-2-7(6)5-9/h2-3,6-10H,4-5H2,1H3
InChIKeyUMUFTPNPRQPXKF-UHFFFAOYSA-N
XLogP0.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-ol
CID 527822
(-)-trans-Isopiperitenol
CID 439410
(1R,6S)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11579163
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethenyl)-, (1R,6R)-
CID 12311192
5-Methylidene-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 32054
trans-4-(1-Methylethyl)-2-cyclohexen-1-ol
CID 149853
(1R,4R)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-ol
CID 14159755
(1S,4R)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-ol
CID 101338767
rel-(+)-(1R,4S,6S)-5-Methylene-6-(1-methylethenyl)-2-cyclohexene-1,4-diol
CID 161734
6-Methyl-cyclohex-2-en-1-ol
CID 550964
2-Cyclohexen-1-ol, 5-methyl-
CID 359231
cis-Isopiperitenol
CID 12311193

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-methylcyclohex-2-en-1-ol?
The IUPAC name of 4-(hydroxymethyl)-5-methylcyclohex-2-en-1-ol (CID 14635278) is 4-(hydroxymethyl)-5-methylcyclohex-2-en-1-ol.
What is the SMILES notation for 4-(hydroxymethyl)-5-methylcyclohex-2-en-1-ol?
The canonical SMILES for 4-(hydroxymethyl)-5-methylcyclohex-2-en-1-ol is CC1CC(O)C=CC1CO.
What is the InChIKey of 4-(hydroxymethyl)-5-methylcyclohex-2-en-1-ol?
The InChIKey is UMUFTPNPRQPXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6-4-8(10)3-2-7(6)5-9/h2-3,6-10H,4-5H2,1H3.
What are the key properties of 4-(hydroxymethyl)-5-methylcyclohex-2-en-1-ol?
4-(hydroxymethyl)-5-methylcyclohex-2-en-1-ol has a molecular weight of 142.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 14635278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).