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

C24H42 — CID 173281967

IUPAC1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane
SMILESC/C=C\CC1CCC(CCCCC2CCC(C/C=C/C)CC2)CC1
InChIInChI=1S/C24H42/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/h3-6,21-24H,7-20H2,1-2H3/b5-3-,6-4+
InChIKeyBJFUBLGAOWJFIC-CIIODKQPSA-N
MW330.60 g/mol
LogP8.09
Rot. Bonds9

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

1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane (PubChem CID 173281967) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane.

Molecular Properties

Compound Name1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane
PubChem CID173281967
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane
SMILESC/C=C\CC1CCC(CCCCC2CCC(C/C=C/C)CC2)CC1
InChIInChI=1S/C24H42/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/h3-6,21-24H,7-20H2,1-2H3/b5-3-,6-4+
InChIKeyBJFUBLGAOWJFIC-CIIODKQPSA-N
XLogP8.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 58.09
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-[(E)-but-2-enyl]-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 173281367
1-[(E)-but-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane
CID 125478979
4-[2-[4-[(E)-but-2-enyl]cyclohexyl]ethyl]cyclohexane-1-carbonitrile
CID 67805976
1-but-2-enyl-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane
CID 56983948
1-ethyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]butyl]cyclohexane
CID 19070114
1-[(E)-but-2-enyl]-4-(4-methylcyclohexyl)cyclohexane
CID 20734074
4-[(E)-but-2-enyl]oxane
CID 166726041
[(E)-non-7-enyl]cyclohexane
CID 142802500
4-[(E)-but-2-enyl]-1-methylpiperidine
CID 176646253
5-[2-[4-[(E)-but-2-enyl]cyclohexyl]ethyl]-1,2,3-trifluorobenzene
CID 67588710
5-[4-[4-[(E)-but-2-enyl]cyclohexyl]cyclohexyl]-1,2,3-trimethylcyclohexane
CID 59927394
1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 173281372

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane?
The IUPAC name of 1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane (CID 173281967) is 1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane.
What is the SMILES notation for 1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane?
The canonical SMILES for 1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane is C/C=C\CC1CCC(CCCCC2CCC(C/C=C/C)CC2)CC1.
What is the InChIKey of 1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane?
The InChIKey is BJFUBLGAOWJFIC-CIIODKQPSA-N. The full InChI is InChI=1S/C24H42/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/h3-6,21-24H,7-20H2,1-2H3/b5-3-,6-4+.
What are the key properties of 1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane?
1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane has a molecular weight of 330.60 g/mol, XLogP of 8.09, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enyl]-4-[4-[4-[(E)-but-2-enyl]cyclohexyl]butyl]cyclohexane is sourced from PubChem (CID 173281967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).