4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene

C42H74O — CID 139803689

IUPAC4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene
SMILESCCCC1CCC(CCCC2CC=C(CCCOCCCC3=CCC(CCCC4CCC(CCC)CC4)CC3)CC2)CC1
InChIInChI=1S/C42H74O/c1-3-9-35-17-21-37(22-18-35)11-5-13-39-25-29-41(30-26-39)15-7-33-43-34-8-16-42-31-27-40(28-32-42)14-6-12-38-23-19-36(10-4-2)20-24-38/h29,31,35-40H,3-28,30,32-34H2,1-2H3
InChIKeyQIUSHBDUIXGJLI-UHFFFAOYSA-N
MW595.05 g/mol
LogP13.57
Rot. Bonds20

About 4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene

4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene (PubChem CID 139803689) has the molecular formula C42H74O and a molecular weight of 595.05 g/mol. Its IUPAC name is 4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene.

Molecular Properties

Compound Name4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene
PubChem CID139803689
Molecular FormulaC42H74O
Molecular Weight595.05 g/mol
Exact Mass594.57
IUPAC Name4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene
SMILESCCCC1CCC(CCCC2CC=C(CCCOCCCC3=CCC(CCCC4CCC(CCC)CC4)CC3)CC2)CC1
InChIInChI=1S/C42H74O/c1-3-9-35-17-21-37(22-18-35)11-5-13-39-25-29-41(30-26-39)15-7-33-43-34-8-16-42-31-27-40(28-32-42)14-6-12-38-23-19-36(10-4-2)20-24-38/h29,31,35-40H,3-28,30,32-34H2,1-2H3
InChIKeyQIUSHBDUIXGJLI-UHFFFAOYSA-N
XLogP13.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.05
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene 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

4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene
CID 139803872
4-[3-(4-hexylcyclohexyl)propyl]-1-[[4-[3-(4-hexylcyclohexyl)propyl]cyclohexen-1-yl]methoxymethyl]cyclohexene
CID 139803814
1-(4-propylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-propylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene
CID 139803705
4-[4-(4-methylhexyl)cyclohexyl]-1-[3-[3-[4-[4-(4-methylhexyl)cyclohexyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene
CID 139803699
[(4R)-4-propylcyclohexen-1-yl]methanol
CID 163783069
1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene
CID 139803818
3-(4-butylcyclohexen-1-yl)(113C)propanal
CID 175712388
1-[2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-hexoxybenzene
CID 19987993
1-butoxy-4-[2-(4-octylcyclohexen-1-yl)ethyl]benzene
CID 19988246
2-[2-(4-butylcyclohexen-1-yl)ethyl]-1,3-dioxolane
CID 162745512
1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19988035
1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene
CID 19988202

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene?
The IUPAC name of 4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene (CID 139803689) is 4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene.
What is the SMILES notation for 4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene?
The canonical SMILES for 4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene is CCCC1CCC(CCCC2CC=C(CCCOCCCC3=CCC(CCCC4CCC(CCC)CC4)CC3)CC2)CC1.
What is the InChIKey of 4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene?
The InChIKey is QIUSHBDUIXGJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H74O/c1-3-9-35-17-21-37(22-18-35)11-5-13-39-25-29-41(30-26-39)15-7-33-43-34-8-16-42-31-27-40(28-32-42)14-6-12-38-23-19-36(10-4-2)20-24-38/h29,31,35-40H,3-28,30,32-34H2,1-2H3.
What are the key properties of 4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene?
4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene has a molecular weight of 595.05 g/mol, XLogP of 13.57, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene is sourced from PubChem (CID 139803689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).