1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane

C27H48 — CID 19070167

IUPAC1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane
SMILESC=CC1CCC(/C=C/CCC2CCC(CCCCCCCCC)CC2)CC1
InChIInChI=1S/C27H48/c1-3-5-6-7-8-9-10-13-25-20-22-27(23-21-25)15-12-11-14-26-18-16-24(4-2)17-19-26/h4,11,14,24-27H,2-3,5-10,12-13,15-23H2,1H3/b14-11+
InChIKeyABHCWXISKVIHLH-SDNWHVSQSA-N
MW372.68 g/mol
LogP9.26
Rot. Bonds13

About 1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane

1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane (PubChem CID 19070167) has the molecular formula C27H48 and a molecular weight of 372.68 g/mol. Its IUPAC name is 1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane
PubChem CID19070167
Molecular FormulaC27H48
Molecular Weight372.68 g/mol
Exact Mass372.38
IUPAC Name1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane
SMILESC=CC1CCC(/C=C/CCC2CCC(CCCCCCCCC)CC2)CC1
InChIInChI=1S/C27H48/c1-3-5-6-7-8-9-10-13-25-20-22-27(23-21-25)15-12-11-14-26-18-16-24(4-2)17-19-26/h4,11,14,24-27H,2-3,5-10,12-13,15-23H2,1H3/b14-11+
InChIKeyABHCWXISKVIHLH-SDNWHVSQSA-N
XLogP9.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.68
LogP ≤ 59.26
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-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]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-ethenyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070123
1-(4-pentylcyclohexyl)-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070151
1-[(E)-non-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane
CID 140650646
1-non-1-enyl-4-pent-3-enylcyclohexane
CID 123569351
1,4-bis[(E)-pent-1-enyl]cyclohexane;1-but-3-enyl-4-ethenylcyclohexane;1-[(E)-dec-3-enyl]-4-ethenylcyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-dec-3-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-ethenyl-4-[(E)-hept-3-enyl]cyclohexane;1-ethenyl-4-[(E)-hex-3-enyl]cyclohexane;1-ethenyl-4-[(E)-non-3-enyl]cyclohexane;1-ethenyl-4-[(E)-oct-3-enyl]cyclohexane;1-ethenyl-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-pent-1-enyl]-4-[(E)-pent-3-enyl]cyclohexane
CID 158217537
1,4-bis[(E)-pent-1-enyl]cyclohexane;1-but-3-enyl-4-ethenylcyclohexane;1-[(E)-dec-3-enyl]-4-ethenylcyclohexane;1-[(E)-dec-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-ethenyl-4-[(E)-hept-3-enyl]cyclohexane;1-ethenyl-4-[(E)-hex-3-enyl]cyclohexane;1-ethenyl-4-[(E)-non-3-enyl]cyclohexane;1-ethenyl-4-[(E)-oct-3-enyl]cyclohexane;1-ethenyl-4-[(E)-pent-3-enyl]cyclohexane;1-[(E)-hept-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-hex-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-non-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane;1-[(E)-oct-1-enyl]-4-[(E)-pent-1-enyl]cyclohexane
CID 159275982
1-but-3-enyl-4-pent-1-enylcyclohexane
CID 123985466
1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane
CID 140650697
1-hex-1-en-5-ynyl-4-(4-pentylcyclohexyl)cyclohexane
CID 139777145
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-hexyl-4-[3-[3-(4-hexylcyclohexyl)prop-2-enoxy]prop-1-enyl]cyclohexane
CID 67946262
1-heptyl-4-[4-[(E)-5,5,5-trifluoropent-1-enyl]cyclohexyl]cyclohexane
CID 139983585

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane?
The IUPAC name of 1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane (CID 19070167) is 1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane.
What is the SMILES notation for 1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane?
The canonical SMILES for 1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane is C=CC1CCC(/C=C/CCC2CCC(CCCCCCCCC)CC2)CC1.
What is the InChIKey of 1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane?
The InChIKey is ABHCWXISKVIHLH-SDNWHVSQSA-N. The full InChI is InChI=1S/C27H48/c1-3-5-6-7-8-9-10-13-25-20-22-27(23-21-25)15-12-11-14-26-18-16-24(4-2)17-19-26/h4,11,14,24-27H,2-3,5-10,12-13,15-23H2,1H3/b14-11+.
What are the key properties of 1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane?
1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane has a molecular weight of 372.68 g/mol, XLogP of 9.26, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane is sourced from PubChem (CID 19070167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).