1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane

C32H54O — CID 130414711

IUPAC1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane
SMILESC=CC1CCC(/C=C/C2CCC(C3CCC(C4CCC(OCCCC)CC4)CC3)CC2)CC1
InChIInChI=1S/C32H54O/c1-3-5-24-33-32-22-20-31(21-23-32)30-18-16-29(17-19-30)28-14-12-27(13-15-28)11-10-26-8-6-25(4-2)7-9-26/h4,10-11,25-32H,2-3,5-9,12-24H2,1H3/b11-10+
InChIKeyGGXQJUZEFAIQNV-ZHACJKMWSA-N
MW454.78 g/mol
LogP9.52
Rot. Bonds9

About 1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane

1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane (PubChem CID 130414711) has the molecular formula C32H54O and a molecular weight of 454.78 g/mol. Its IUPAC name is 1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane
PubChem CID130414711
Molecular FormulaC32H54O
Molecular Weight454.78 g/mol
Exact Mass454.42
IUPAC Name1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane
SMILESC=CC1CCC(/C=C/C2CCC(C3CCC(C4CCC(OCCCC)CC4)CC3)CC2)CC1
InChIInChI=1S/C32H54O/c1-3-5-24-33-32-22-20-31(21-23-32)30-18-16-29(17-19-30)28-14-12-27(13-15-28)11-10-26-8-6-25(4-2)7-9-26/h4,10-11,25-32H,2-3,5-9,12-24H2,1H3/b11-10+
InChIKeyGGXQJUZEFAIQNV-ZHACJKMWSA-N
XLogP9.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.78
LogP ≤ 59.52
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-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane 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-butoxy-4-[4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 130414741
1-butoxy-4-(4-hex-1-enylcyclohexyl)cyclohexane
CID 57181103
1-but-3-enoxy-4-(4-heptoxycyclohexyl)cyclohexane
CID 59498876
1-but-3-enoxy-4-(4-pent-1-enylcyclohexyl)cyclohexane
CID 54280459
1-butoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 71106589
1-ethenyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886323
1-but-3-enyl-4-(4-pentoxycyclohexyl)cyclohexane
CID 19380422
1-ethenyl-4-[4-[4-(3-ethoxycyclopentyl)cyclohexyl]cyclohexyl]cyclohexane
CID 58555460
1-ethenyl-4-(3-ethoxycyclopentyl)cyclohexane
CID 58555888
1-[(E)-pent-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane
CID 19380462
1-[[4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-pentylbenzene
CID 154607202
heptoxycyclopropane
CID 54099544

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane (CID 130414711) is 1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane is C=CC1CCC(/C=C/C2CCC(C3CCC(C4CCC(OCCCC)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane?
The InChIKey is GGXQJUZEFAIQNV-ZHACJKMWSA-N. The full InChI is InChI=1S/C32H54O/c1-3-5-24-33-32-22-20-31(21-23-32)30-18-16-29(17-19-30)28-14-12-27(13-15-28)11-10-26-8-6-25(4-2)7-9-26/h4,10-11,25-32H,2-3,5-9,12-24H2,1H3/b11-10+.
What are the key properties of 1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane?
1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane has a molecular weight of 454.78 g/mol, XLogP of 9.52, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[4-[4-[(E)-2-(4-ethenylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 130414711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).