1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde

C10H16O2 — CID 130664231

IUPAC1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(CC2CCOCC2)CC1
InChIInChI=1S/C10H16O2/c11-8-10(3-4-10)7-9-1-5-12-6-2-9/h8-9H,1-7H2
InChIKeyRSPPHSYHSIWREQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.78
Rot. Bonds3

About 1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde

1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde (PubChem CID 130664231) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde
PubChem CID130664231
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(CC2CCOCC2)CC1
InChIInChI=1S/C10H16O2/c11-8-10(3-4-10)7-9-1-5-12-6-2-9/h8-9H,1-7H2
InChIKeyRSPPHSYHSIWREQ-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(oxan-4-ylmethyl)cyclopropane-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-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde (CID 130664231) is 1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde is O=CC1(CC2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde?
The InChIKey is RSPPHSYHSIWREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-8-10(3-4-10)7-9-1-5-12-6-2-9/h8-9H,1-7H2.
What are the key properties of 1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde?
1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 130664231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).