cyclohexen-1-ylmethanediol

C7H12O2 — CID 21392290

IUPACcyclohexen-1-ylmethanediol
SMILESOC(O)C1=CCCCC1
InChIInChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h4,7-9H,1-3,5H2
InChIKeyOAJGMGGZMNZSRV-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.80
Rot. Bonds1

About cyclohexen-1-ylmethanediol

cyclohexen-1-ylmethanediol (PubChem CID 21392290) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is cyclohexen-1-ylmethanediol.

Molecular Properties

Compound Namecyclohexen-1-ylmethanediol
PubChem CID21392290
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Namecyclohexen-1-ylmethanediol
SMILESOC(O)C1=CCCCC1
InChIInChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h4,7-9H,1-3,5H2
InChIKeyOAJGMGGZMNZSRV-UHFFFAOYSA-N
XLogP0.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cyclohexen-1-ylmethanediol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
cycloocten-1-yl(cyclopropyl)methanol
CID 106651053
cyclohepten-1-yl(cyclopentyl)methanol
CID 62078752
2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol
CID 130589356
1-(cyclohexen-1-yl)-2-methylsulfanylethanol
CID 106657946
(2S)-2-amino-3-(cyclohexen-1-yl)-3-hydroxypropanoic acid
CID 68985883
1-(1-iodoethyl)cyclohexene
CID 126621262
6-bicyclo[3.1.0]hexanyl(cycloocten-1-yl)methanol
CID 106657681
1-(cyclohexen-1-yl)-2,2-diphenylethanol
CID 107292880
1-(cycloocten-1-yl)-2-cyclopropylethanol
CID 106657572
cyclohepten-1-yl-(2-methylcyclopropyl)methanol
CID 62078578

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-ylmethanediol?
The IUPAC name of cyclohexen-1-ylmethanediol (CID 21392290) is cyclohexen-1-ylmethanediol.
What is the SMILES notation for cyclohexen-1-ylmethanediol?
The canonical SMILES for cyclohexen-1-ylmethanediol is OC(O)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-ylmethanediol?
The InChIKey is OAJGMGGZMNZSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h4,7-9H,1-3,5H2.
What are the key properties of cyclohexen-1-ylmethanediol?
cyclohexen-1-ylmethanediol has a molecular weight of 128.17 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylmethanediol is sourced from PubChem (CID 21392290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).