4-cyclohexyl-1-ethenyl-1-[(E)-prop-1-enyl]cyclohexane

C17H28 — CID 121005557

IUPAC4-cyclohexyl-1-ethenyl-1-[(E)-prop-1-enyl]cyclohexane
SMILESC=CC1(/C=C/C)CCC(C2CCCCC2)CC1
InChIInChI=1S/C17H28/c1-3-12-17(4-2)13-10-16(11-14-17)15-8-6-5-7-9-15/h3-4,12,15-16H,2,5-11,13-14H2,1H3/b12-3+
InChIKeyONEVLFRVEMSJMC-KGVSQERTSA-N
MW232.41 g/mol
LogP5.51
Rot. Bonds3

About 4-cyclohexyl-1-ethenyl-1-[(E)-prop-1-enyl]cyclohexane

4-cyclohexyl-1-ethenyl-1-[(E)-prop-1-enyl]cyclohexane (PubChem CID 121005557) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 4-cyclohexyl-1-ethenyl-1-[(E)-prop-1-enyl]cyclohexane.

Molecular Properties

Compound Name4-cyclohexyl-1-ethenyl-1-[(E)-prop-1-enyl]cyclohexane
PubChem CID121005557
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name4-cyclohexyl-1-ethenyl-1-[(E)-prop-1-enyl]cyclohexane
SMILESC=CC1(/C=C/C)CCC(C2CCCCC2)CC1
InChIInChI=1S/C17H28/c1-3-12-17(4-2)13-10-16(11-14-17)15-8-6-5-7-9-15/h3-4,12,15-16H,2,5-11,13-14H2,1H3/b12-3+
InChIKeyONEVLFRVEMSJMC-KGVSQERTSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.51
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 4-cyclohexyl-1-ethenyl-1-[(E)-prop-1-enyl]cyclohexane?
The IUPAC name of 4-cyclohexyl-1-ethenyl-1-[(E)-prop-1-enyl]cyclohexane (CID 121005557) is 4-cyclohexyl-1-ethenyl-1-[(E)-prop-1-enyl]cyclohexane.
What is the SMILES notation for 4-cyclohexyl-1-ethenyl-1-[(E)-prop-1-enyl]cyclohexane?
The canonical SMILES for 4-cyclohexyl-1-ethenyl-1-[(E)-prop-1-enyl]cyclohexane is C=CC1(/C=C/C)CCC(C2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexyl-1-ethenyl-1-[(E)-prop-1-enyl]cyclohexane?
The InChIKey is ONEVLFRVEMSJMC-KGVSQERTSA-N. The full InChI is InChI=1S/C17H28/c1-3-12-17(4-2)13-10-16(11-14-17)15-8-6-5-7-9-15/h3-4,12,15-16H,2,5-11,13-14H2,1H3/b12-3+.
What are the key properties of 4-cyclohexyl-1-ethenyl-1-[(E)-prop-1-enyl]cyclohexane?
4-cyclohexyl-1-ethenyl-1-[(E)-prop-1-enyl]cyclohexane has a molecular weight of 232.41 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-ethenyl-1-[(E)-prop-1-enyl]cyclohexane is sourced from PubChem (CID 121005557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).