1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde

C12H20O3 — CID 130654965

IUPAC1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde
SMILESCC1CCC(C=O)(C2COCC2O)CC1
InChIInChI=1S/C12H20O3/c1-9-2-4-12(8-13,5-3-9)10-6-15-7-11(10)14/h8-11,14H,2-7H2,1H3
InChIKeyQHBLOCNRHSYFGI-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.39
Rot. Bonds2

About 1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde

1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde (PubChem CID 130654965) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde
PubChem CID130654965
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde
SMILESCC1CCC(C=O)(C2COCC2O)CC1
InChIInChI=1S/C12H20O3/c1-9-2-4-12(8-13,5-3-9)10-6-15-7-11(10)14/h8-11,14H,2-7H2,1H3
InChIKeyQHBLOCNRHSYFGI-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde?
The IUPAC name of 1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde (CID 130654965) is 1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde?
The canonical SMILES for 1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde is CC1CCC(C=O)(C2COCC2O)CC1.
What is the InChIKey of 1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde?
The InChIKey is QHBLOCNRHSYFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-9-2-4-12(8-13,5-3-9)10-6-15-7-11(10)14/h8-11,14H,2-7H2,1H3.
What are the key properties of 1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde?
1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde has a molecular weight of 212.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyoxolan-3-yl)-4-methylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 130654965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).