1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane

C27H48 — CID 139659740

IUPAC1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
SMILESCCCCC1CCC(/C=C/C2CCC(C3CCC(CCC)CC3)CC2)CC1
InChIInChI=1S/C27H48/c1-3-5-7-23-8-10-24(11-9-23)12-13-25-16-20-27(21-17-25)26-18-14-22(6-4-2)15-19-26/h12-13,22-27H,3-11,14-21H2,1-2H3/b13-12+
InChIKeyZINQKYIMSRIEIQ-OUKQBFOZSA-N
MW372.68 g/mol
LogP8.95
Rot. Bonds8

About 1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane

1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane (PubChem CID 139659740) has the molecular formula C27H48 and a molecular weight of 372.68 g/mol. Its IUPAC name is 1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane.

Molecular Properties

Compound Name1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
PubChem CID139659740
Molecular FormulaC27H48
Molecular Weight372.68 g/mol
Exact Mass372.38
IUPAC Name1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
SMILESCCCCC1CCC(/C=C/C2CCC(C3CCC(CCC)CC3)CC2)CC1
InChIInChI=1S/C27H48/c1-3-5-7-23-8-10-24(11-9-23)12-13-25-16-20-27(21-17-25)26-18-14-22(6-4-2)15-19-26/h12-13,22-27H,3-11,14-21H2,1-2H3/b13-12+
InChIKeyZINQKYIMSRIEIQ-OUKQBFOZSA-N
XLogP8.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.68
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 20594578
5-[4-(4-butylcyclohexyl)cyclohexyl]penta-2,4-dienenitrile
CID 54450686
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 143239770
1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane
CID 22915763
1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane
CID 142281934
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-butyl-4-(4-cyclopentylcyclohexyl)cyclohexane
CID 146793992
1-[(E)-5-fluoropent-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
CID 19695446
1-(3-methoxyprop-1-enyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54047469
1-hex-1-en-5-ynyl-4-(4-pentylcyclohexyl)cyclohexane
CID 139777145
1-(4-fluorobut-1-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 54464983

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane?
The IUPAC name of 1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane (CID 139659740) is 1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane.
What is the SMILES notation for 1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane?
The canonical SMILES for 1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane is CCCCC1CCC(/C=C/C2CCC(C3CCC(CCC)CC3)CC2)CC1.
What is the InChIKey of 1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane?
The InChIKey is ZINQKYIMSRIEIQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C27H48/c1-3-5-7-23-8-10-24(11-9-23)12-13-25-16-20-27(21-17-25)26-18-14-22(6-4-2)15-19-26/h12-13,22-27H,3-11,14-21H2,1-2H3/b13-12+.
What are the key properties of 1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane?
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane has a molecular weight of 372.68 g/mol, XLogP of 8.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane is sourced from PubChem (CID 139659740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).