1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane

C27H43F — CID 59950184

IUPAC1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane
SMILESCC(=CC1CCC(C=CC2CCC(C)CC2)CC1)C1CCC(C/C=C/F)CC1
InChIInChI=1S/C27H43F/c1-21-5-7-24(8-6-21)9-10-25-11-13-26(14-12-25)20-22(2)27-17-15-23(16-18-27)4-3-19-28/h3,9-10,19-21,23-27H,4-8,11-18H2,1-2H3/b10-9?,19-3+,22-20?
InChIKeySXNWPFVNKDUXKA-GADXOPQISA-N
MW386.64 g/mol
LogP8.80
Rot. Bonds6

About 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane

1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane (PubChem CID 59950184) has the molecular formula C27H43F and a molecular weight of 386.64 g/mol. Its IUPAC name is 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane.

Molecular Properties

Compound Name1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane
PubChem CID59950184
Molecular FormulaC27H43F
Molecular Weight386.64 g/mol
Exact Mass386.33
IUPAC Name1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane
SMILESCC(=CC1CCC(C=CC2CCC(C)CC2)CC1)C1CCC(C/C=C/F)CC1
InChIInChI=1S/C27H43F/c1-21-5-7-24(8-6-21)9-10-25-11-13-26(14-12-25)20-22(2)27-17-15-23(16-18-27)4-3-19-28/h3,9-10,19-21,23-27H,4-8,11-18H2,1-2H3/b10-9?,19-3+,22-20?
InChIKeySXNWPFVNKDUXKA-GADXOPQISA-N
XLogP8.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.64
LogP ≤ 58.80
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-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane?
The IUPAC name of 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane (CID 59950184) is 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane.
What is the SMILES notation for 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane?
The canonical SMILES for 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane is CC(=CC1CCC(C=CC2CCC(C)CC2)CC1)C1CCC(C/C=C/F)CC1.
What is the InChIKey of 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane?
The InChIKey is SXNWPFVNKDUXKA-GADXOPQISA-N. The full InChI is InChI=1S/C27H43F/c1-21-5-7-24(8-6-21)9-10-25-11-13-26(14-12-25)20-22(2)27-17-15-23(16-18-27)4-3-19-28/h3,9-10,19-21,23-27H,4-8,11-18H2,1-2H3/b10-9?,19-3+,22-20?.
What are the key properties of 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane?
1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane has a molecular weight of 386.64 g/mol, XLogP of 8.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]prop-1-enyl]-4-[2-(4-methylcyclohexyl)ethenyl]cyclohexane is sourced from PubChem (CID 59950184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).