4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde

C18H28O — CID 87124439

IUPAC4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde
SMILESCCCCCC1(C2CCCCC2)C=CC(C=O)=CC1
InChIInChI=1S/C18H28O/c1-2-3-7-12-18(17-8-5-4-6-9-17)13-10-16(15-19)11-14-18/h10-11,13,15,17H,2-9,12,14H2,1H3
InChIKeyCECUYQYAGYVVBE-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.22
Rot. Bonds6

About 4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde

4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde (PubChem CID 87124439) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde
PubChem CID87124439
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde
SMILESCCCCCC1(C2CCCCC2)C=CC(C=O)=CC1
InChIInChI=1S/C18H28O/c1-2-3-7-12-18(17-8-5-4-6-9-17)13-10-16(15-19)11-14-18/h10-11,13,15,17H,2-9,12,14H2,1H3
InChIKeyCECUYQYAGYVVBE-UHFFFAOYSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-cyclohexyl-4-pentylcyclohexa-1,5-diene-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

Related Compounds

3-cyclohexyl-3-pentylcyclohexa-1,4-diene
CID 173011967
1-cyclohexyl-4-heptylbicyclo[2.2.2]octane
CID 56607636
1-butyl-1-cycloheptylcycloheptane
CID 140610618
5-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
CID 121408698
2,6-dicyclopentyl-6-heptylcyclohexa-1,4-diene-1,3-diamine
CID 68626368
3-cyclohexyl-3-propylcyclohexa-1,4-diene
CID 173011932
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;cyclopentane;hexane;propane
CID 173273683
4-(1-butylcyclohexyl)cyclohexane-1-carbaldehyde
CID 174896798
9,9-dioxo-3-undecyl-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171962632
3-dodecyl-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171957537
3-cyclohexyl-2-cyclopenta-2,4-dien-1-yl-3-pentylcyclohexan-1-one;cyclopentane;iron
CID 174758031
6-methyl-4,6-dipentylcyclohexa-1,3-diene-1-carbaldehyde
CID 102512466

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde?
The IUPAC name of 4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde (CID 87124439) is 4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde.
What is the SMILES notation for 4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde?
The canonical SMILES for 4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde is CCCCCC1(C2CCCCC2)C=CC(C=O)=CC1.
What is the InChIKey of 4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde?
The InChIKey is CECUYQYAGYVVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-2-3-7-12-18(17-8-5-4-6-9-17)13-10-16(15-19)11-14-18/h10-11,13,15,17H,2-9,12,14H2,1H3.
What are the key properties of 4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde?
4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde has a molecular weight of 260.42 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-pentylcyclohexa-1,5-diene-1-carbaldehyde is sourced from PubChem (CID 87124439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).