4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde

C15H22O — CID 90657647

IUPAC4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde
SMILESCC1(C)CCC=C(C2CC=C(C=O)CC2)C1
InChIInChI=1S/C15H22O/c1-15(2)9-3-4-14(10-15)13-7-5-12(11-16)6-8-13/h4-5,11,13H,3,6-10H2,1-2H3
InChIKeyFITVEUXUZLYLPG-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.05
Rot. Bonds2

About 4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde

4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde (PubChem CID 90657647) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde
PubChem CID90657647
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde
SMILESCC1(C)CCC=C(C2CC=C(C=O)CC2)C1
InChIInChI=1S/C15H22O/c1-15(2)9-3-4-14(10-15)13-7-5-12(11-16)6-8-13/h4-5,11,13H,3,6-10H2,1-2H3
InChIKeyFITVEUXUZLYLPG-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.05
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-(5,5-dimethylcyclohexen-1-yl)cyclohexene-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-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde?
The IUPAC name of 4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde (CID 90657647) is 4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde.
What is the SMILES notation for 4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde?
The canonical SMILES for 4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde is CC1(C)CCC=C(C2CC=C(C=O)CC2)C1.
What is the InChIKey of 4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde?
The InChIKey is FITVEUXUZLYLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-15(2)9-3-4-14(10-15)13-7-5-12(11-16)6-8-13/h4-5,11,13H,3,6-10H2,1-2H3.
What are the key properties of 4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde?
4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde has a molecular weight of 218.34 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethylcyclohexen-1-yl)cyclohexene-1-carbaldehyde is sourced from PubChem (CID 90657647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).