1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane

C32H54 — CID 139753577

IUPAC1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane
SMILESC=C(C1CCC(CCCCC)CC1)C1CCCCC1/C=C/CCC1CCC(/C=C/C)CC1
InChIInChI=1S/C32H54/c1-4-6-7-13-29-22-24-30(25-23-29)26(3)32-17-11-10-16-31(32)15-9-8-14-28-20-18-27(12-5-2)19-21-28/h5,9,12,15,27-32H,3-4,6-8,10-11,13-14,16-25H2,1-2H3/b12-5+,15-9+
InChIKeySIQADOYZABQYRZ-QEOZMODRSA-N
MW438.78 g/mol
LogP10.45
Rot. Bonds11

About 1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane

1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane (PubChem CID 139753577) has the molecular formula C32H54 and a molecular weight of 438.78 g/mol. Its IUPAC name is 1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane.

Molecular Properties

Compound Name1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane
PubChem CID139753577
Molecular FormulaC32H54
Molecular Weight438.78 g/mol
Exact Mass438.42
IUPAC Name1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane
SMILESC=C(C1CCC(CCCCC)CC1)C1CCCCC1/C=C/CCC1CCC(/C=C/C)CC1
InChIInChI=1S/C32H54/c1-4-6-7-13-29-22-24-30(25-23-29)26(3)32-17-11-10-16-31(32)15-9-8-14-28-20-18-27(12-5-2)19-21-28/h5,9,12,15,27-32H,3-4,6-8,10-11,13-14,16-25H2,1-2H3/b12-5+,15-9+
InChIKeySIQADOYZABQYRZ-QEOZMODRSA-N
XLogP10.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.78
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]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-ethyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane
CID 139753585
1-(4-pentylcyclohexyl)-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070151
1-non-3-enyl-4-prop-1-enylcyclohexane
CID 123968866
1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane
CID 159199082
1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578
1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane
CID 19070167
1-non-1-enyl-4-pent-3-enylcyclohexane
CID 123569351
1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane
CID 140650646
1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane
CID 173282079
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061
1-ethenyl-4-[(E)-4-[2-[1-(1-propylcyclohexyl)ethenyl]cyclohexyl]but-3-enyl]cyclohexane
CID 173281898
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane?
The IUPAC name of 1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane (CID 139753577) is 1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane.
What is the SMILES notation for 1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane?
The canonical SMILES for 1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane is C=C(C1CCC(CCCCC)CC1)C1CCCCC1/C=C/CCC1CCC(/C=C/C)CC1.
What is the InChIKey of 1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane?
The InChIKey is SIQADOYZABQYRZ-QEOZMODRSA-N. The full InChI is InChI=1S/C32H54/c1-4-6-7-13-29-22-24-30(25-23-29)26(3)32-17-11-10-16-31(32)15-9-8-14-28-20-18-27(12-5-2)19-21-28/h5,9,12,15,27-32H,3-4,6-8,10-11,13-14,16-25H2,1-2H3/b12-5+,15-9+.
What are the key properties of 1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane?
1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane has a molecular weight of 438.78 g/mol, XLogP of 10.45, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-[1-[2-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexyl]ethenyl]cyclohexane is sourced from PubChem (CID 139753577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).