4,5-dimethylcyclohept-3-ene-1-carbaldehyde

C10H16O — CID 143847275

IUPAC4,5-dimethylcyclohept-3-ene-1-carbaldehyde
SMILESCC1=CCC(C=O)CCC1C
InChIInChI=1S/C10H16O/c1-8-3-5-10(7-11)6-4-9(8)2/h3,7,9-10H,4-6H2,1-2H3
InChIKeyLRQHZVYEWKMDQI-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds1

About 4,5-dimethylcyclohept-3-ene-1-carbaldehyde

4,5-dimethylcyclohept-3-ene-1-carbaldehyde (PubChem CID 143847275) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4,5-dimethylcyclohept-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name4,5-dimethylcyclohept-3-ene-1-carbaldehyde
PubChem CID143847275
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4,5-dimethylcyclohept-3-ene-1-carbaldehyde
SMILESCC1=CCC(C=O)CCC1C
InChIInChI=1S/C10H16O/c1-8-3-5-10(7-11)6-4-9(8)2/h3,7,9-10H,4-6H2,1-2H3
InChIKeyLRQHZVYEWKMDQI-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,5-dimethylcyclohept-3-ene-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 4,5-dimethylcyclohept-3-ene-1-carbaldehyde?
The IUPAC name of 4,5-dimethylcyclohept-3-ene-1-carbaldehyde (CID 143847275) is 4,5-dimethylcyclohept-3-ene-1-carbaldehyde.
What is the SMILES notation for 4,5-dimethylcyclohept-3-ene-1-carbaldehyde?
The canonical SMILES for 4,5-dimethylcyclohept-3-ene-1-carbaldehyde is CC1=CCC(C=O)CCC1C.
What is the InChIKey of 4,5-dimethylcyclohept-3-ene-1-carbaldehyde?
The InChIKey is LRQHZVYEWKMDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-3-5-10(7-11)6-4-9(8)2/h3,7,9-10H,4-6H2,1-2H3.
What are the key properties of 4,5-dimethylcyclohept-3-ene-1-carbaldehyde?
4,5-dimethylcyclohept-3-ene-1-carbaldehyde has a molecular weight of 152.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylcyclohept-3-ene-1-carbaldehyde is sourced from PubChem (CID 143847275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).