1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene

C48H70O — CID 139803818

IUPAC1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene
SMILESCCCCC1CCC(c2ccc(C3CC=C(CCOCCC4=CCC(c5ccc(C6CCC(CCCC)CC6)cc5)CC4)CC3)cc2)CC1
InChIInChI=1S/C48H70O/c1-3-5-7-37-9-17-41(18-10-37)45-25-29-47(30-26-45)43-21-13-39(14-22-43)33-35-49-36-34-40-15-23-44(24-16-40)48-31-27-46(28-32-48)42-19-11-38(12-20-42)8-6-4-2/h13,15,25-32,37-38,41-44H,3-12,14,16-24,33-36H2,1-2H3
InChIKeyZGQYXPOFAIHHRL-UHFFFAOYSA-N
MW663.09 g/mol
LogP14.50
Rot. Bonds16

About 1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene

1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene (PubChem CID 139803818) has the molecular formula C48H70O and a molecular weight of 663.09 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene
PubChem CID139803818
Molecular FormulaC48H70O
Molecular Weight663.09 g/mol
Exact Mass662.54
IUPAC Name1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene
SMILESCCCCC1CCC(c2ccc(C3CC=C(CCOCCC4=CCC(c5ccc(C6CCC(CCCC)CC6)cc5)CC4)CC3)cc2)CC1
InChIInChI=1S/C48H70O/c1-3-5-7-37-9-17-41(18-10-37)45-25-29-47(30-26-45)43-21-13-39(14-22-43)33-35-49-36-34-40-15-23-44(24-16-40)48-31-27-46(28-32-48)42-19-11-38(12-20-42)8-6-4-2/h13,15,25-32,37-38,41-44H,3-12,14,16-24,33-36H2,1-2H3
InChIKeyZGQYXPOFAIHHRL-UHFFFAOYSA-N
XLogP14.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.09
LogP ≤ 514.50
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 1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene 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

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
1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]phenyl]benzene
CID 139803625
1-propyl-4-[4-[4-[2-[2-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]cyclohexyl]benzene
CID 139803649
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
4-[4-(4-heptylcyclohexyl)butyl]-1-[6-[6-[4-[4-(4-heptylcyclohexyl)butyl]cyclohexen-1-yl]hexoxy]hexyl]cyclohexene
CID 139803872
4-[3-(4-propylcyclohexyl)propyl]-1-[3-[3-[4-[3-(4-propylcyclohexyl)propyl]cyclohexen-1-yl]propoxy]propyl]cyclohexene
CID 139803689
1-(4-butylcyclohexyl)-4-ethoxybenzene
CID 3019938
pentakis(4-(4-butylcyclohexyl)benzenethiol);pentahydrofluoride
CID 173376062
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
1-(4-butylcyclohexyl)-4-(4-methylcyclohexen-1-yl)benzene
CID 20538128
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-(4-butylcyclohexyl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538092

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene?
The IUPAC name of 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) is 1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene.
What is the SMILES notation for 1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene?
The canonical SMILES for 1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene is CCCCC1CCC(c2ccc(C3CC=C(CCOCCC4=CCC(c5ccc(C6CCC(CCCC)CC6)cc5)CC4)CC3)cc2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene?
The InChIKey is ZGQYXPOFAIHHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H70O/c1-3-5-7-37-9-17-41(18-10-37)45-25-29-47(30-26-45)43-21-13-39(14-22-43)33-35-49-36-34-40-15-23-44(24-16-40)48-31-27-46(28-32-48)42-19-11-38(12-20-42)8-6-4-2/h13,15,25-32,37-38,41-44H,3-12,14,16-24,33-36H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene?
1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene has a molecular weight of 663.09 g/mol, XLogP of 14.50, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-4-[4-[2-[2-[4-[4-(4-butylcyclohexyl)phenyl]cyclohexen-1-yl]ethoxy]ethyl]cyclohex-3-en-1-yl]benzene is sourced from PubChem (CID 139803818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).