3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde

C20H36O — CID 88959977

IUPAC3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde
SMILESCCC1CCCC(CCCCCC2CCCC(C=O)C2)C1
InChIInChI=1S/C20H36O/c1-2-17-10-6-11-18(14-17)8-4-3-5-9-19-12-7-13-20(15-19)16-21/h16-20H,2-15H2,1H3
InChIKeyRUQNDBCZOWCABK-UHFFFAOYSA-N
MW292.51 g/mol
LogP6.16
Rot. Bonds8

About 3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde

3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde (PubChem CID 88959977) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is 3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde
PubChem CID88959977
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde
SMILESCCC1CCCC(CCCCCC2CCCC(C=O)C2)C1
InChIInChI=1S/C20H36O/c1-2-17-10-6-11-18(14-17)8-4-3-5-9-19-12-7-13-20(15-19)16-21/h16-20H,2-15H2,1H3
InChIKeyRUQNDBCZOWCABK-UHFFFAOYSA-N
XLogP6.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.16
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 3-[5-(3-ethylcyclohexyl)pentyl]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

Related Compounds

3-butylcyclohexane-1-carbaldehyde
CID 14619447
3-[8-(3,5-dimethylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
CID 88960047
4-[8-(3-propylcyclohexyl)octyl]cyclohexane-1-carbaldehyde
CID 88960037
3-(3-oxopropyl)cyclohexane-1-carbaldehyde
CID 21192038
1,3-diheptylcyclohexane
CID 19973333
1-ethyl-3-propylcyclohexane
CID 22129036
1,3-dipentylcyclohexane
CID 54105663
3-(3-oxopropyl)cyclohexane-1-carbaldehyde;4-(3-oxopropyl)cyclohexane-1-carbaldehyde
CID 139330246
cyclohexane-1,3-dicarbaldehyde
CID 23496622
4-[10-(3,4-dimethylcyclohexyl)decyl]cyclohexane-1-carbaldehyde
CID 88959947
4-[9-(3,4-dimethylcyclohexyl)nonyl]cyclohexane-1-carbaldehyde
CID 88959924
5-cyclobutylpentylcyclobutane
CID 173228999

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde (CID 88959977) is 3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde is CCC1CCCC(CCCCCC2CCCC(C=O)C2)C1.
What is the InChIKey of 3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde?
The InChIKey is RUQNDBCZOWCABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O/c1-2-17-10-6-11-18(14-17)8-4-3-5-9-19-12-7-13-20(15-19)16-21/h16-20H,2-15H2,1H3.
What are the key properties of 3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde?
3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde has a molecular weight of 292.51 g/mol, XLogP of 6.16, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-ethylcyclohexyl)pentyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 88959977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).