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

C17H28 — CID 18341917

IUPAC1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC=CC1CCC(C2CCC(/C=C/C)CC2)CC1
InChIInChI=1S/C17H28/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h3-5,14-17H,2,6-13H2,1H3/b5-3+
InChIKeyFVVMZDMDPCZGFP-HWKANZROSA-N
MW232.41 g/mol
LogP5.36
Rot. Bonds3

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

1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (PubChem CID 18341917) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
PubChem CID18341917
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC=CC1CCC(C2CCC(/C=C/C)CC2)CC1
InChIInChI=1S/C17H28/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h3-5,14-17H,2,6-13H2,1H3/b5-3+
InChIKeyFVVMZDMDPCZGFP-HWKANZROSA-N
XLogP5.36
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 ≤ 55.36
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-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (CID 18341917) is 1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is C=CC1CCC(C2CCC(/C=C/C)CC2)CC1.
What is the InChIKey of 1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is FVVMZDMDPCZGFP-HWKANZROSA-N. The full InChI is InChI=1S/C17H28/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h3-5,14-17H,2,6-13H2,1H3/b5-3+.
What are the key properties of 1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 232.41 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 18341917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).