1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane

C24H40 — CID 57039741

IUPAC1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane
SMILESC=CCCC1CCC(C2(C3(C=C)CCCCC3)CCCCC2)CC1
InChIInChI=1S/C24H40/c1-3-5-12-21-13-15-22(16-14-21)24(19-10-7-11-20-24)23(4-2)17-8-6-9-18-23/h3-4,21-22H,1-2,5-20H2
InChIKeyYTOAXDAQKDKMNN-UHFFFAOYSA-N
MW328.58 g/mol
LogP7.85
Rot. Bonds6

About 1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane

1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane (PubChem CID 57039741) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is 1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane
PubChem CID57039741
Molecular FormulaC24H40
Molecular Weight328.58 g/mol
Exact Mass328.31
IUPAC Name1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane
SMILESC=CCCC1CCC(C2(C3(C=C)CCCCC3)CCCCC2)CC1
InChIInChI=1S/C24H40/c1-3-5-12-21-13-15-22(16-14-21)24(19-10-7-11-20-24)23(4-2)17-8-6-9-18-23/h3-4,21-22H,1-2,5-20H2
InChIKeyYTOAXDAQKDKMNN-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane (CID 57039741) is 1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane is C=CCCC1CCC(C2(C3(C=C)CCCCC3)CCCCC2)CC1.
What is the InChIKey of 1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane?
The InChIKey is YTOAXDAQKDKMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40/c1-3-5-12-21-13-15-22(16-14-21)24(19-10-7-11-20-24)23(4-2)17-8-6-9-18-23/h3-4,21-22H,1-2,5-20H2.
What are the key properties of 1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane?
1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane has a molecular weight of 328.58 g/mol, XLogP of 7.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-[1-(1-ethenylcyclohexyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 57039741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).