4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde

C17H30O — CID 88959864

IUPAC4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde
SMILESCC1CCCC(CCC2CCC(C=O)CC2)C1C
InChIInChI=1S/C17H30O/c1-13-4-3-5-17(14(13)2)11-10-15-6-8-16(12-18)9-7-15/h12-17H,3-11H2,1-2H3
InChIKeyLSGWKGORPYPPOA-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.84
Rot. Bonds4

About 4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde

4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde (PubChem CID 88959864) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde
PubChem CID88959864
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde
SMILESCC1CCCC(CCC2CCC(C=O)CC2)C1C
InChIInChI=1S/C17H30O/c1-13-4-3-5-17(14(13)2)11-10-15-6-8-16(12-18)9-7-15/h12-17H,3-11H2,1-2H3
InChIKeyLSGWKGORPYPPOA-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-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-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde (CID 88959864) is 4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde is CC1CCCC(CCC2CCC(C=O)CC2)C1C.
What is the InChIKey of 4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde?
The InChIKey is LSGWKGORPYPPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-13-4-3-5-17(14(13)2)11-10-15-6-8-16(12-18)9-7-15/h12-17H,3-11H2,1-2H3.
What are the key properties of 4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde?
4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde has a molecular weight of 250.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dimethylcyclohexyl)ethyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 88959864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).