1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane

C24H44 — CID 173281367

IUPAC1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
SMILESC/C=C/CC1CCC(CCCCC2CCC(CCCC)CC2)CC1
InChIInChI=1S/C24H44/c1-3-5-9-21-13-17-23(18-14-21)11-7-8-12-24-19-15-22(16-20-24)10-6-4-2/h3,5,21-24H,4,6-20H2,1-2H3/b5-3+
InChIKeyRABSFPQMLVXIKD-HWKANZROSA-N
MW332.62 g/mol
LogP8.32
Rot. Bonds10

About 1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane

1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane (PubChem CID 173281367) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
PubChem CID173281367
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
SMILESC/C=C/CC1CCC(CCCCC2CCC(CCCC)CC2)CC1
InChIInChI=1S/C24H44/c1-3-5-9-21-13-17-23(18-14-21)11-7-8-12-24-19-15-22(16-20-24)10-6-4-2/h3,5,21-24H,4,6-20H2,1-2H3/b5-3+
InChIKeyRABSFPQMLVXIKD-HWKANZROSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.32
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'}

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Related Compounds

1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane
CID 173281967
1-[(E)-but-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane
CID 125478979
hexane;pentylcyclopropane
CID 159592467
1-[(E)-but-2-enyl]-4-(4-butylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-ethylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-butyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-ethyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;molecular hydrogen;1-pentyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 159707196
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane
CID 19070114
1-but-2-enyl-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane
CID 56983948
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-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane
CID 20734074

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane?
The IUPAC name of 1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane (CID 173281367) is 1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane.
What is the SMILES notation for 1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane?
The canonical SMILES for 1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane is C/C=C/CC1CCC(CCCCC2CCC(CCCC)CC2)CC1.
What is the InChIKey of 1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane?
The InChIKey is RABSFPQMLVXIKD-HWKANZROSA-N. The full InChI is InChI=1S/C24H44/c1-3-5-9-21-13-17-23(18-14-21)11-7-8-12-24-19-15-22(16-20-24)10-6-4-2/h3,5,21-24H,4,6-20H2,1-2H3/b5-3+.
What are the key properties of 1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane?
1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane has a molecular weight of 332.62 g/mol, XLogP of 8.32, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane is sourced from PubChem (CID 173281367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).