[(E)-5-butylsulfanylhept-5-enyl]cyclohexane

C17H32S — CID 137383282

IUPAC[(E)-5-butylsulfanylhept-5-enyl]cyclohexane
SMILESC/C=C(\CCCCC1CCCCC1)SCCCC
InChIInChI=1S/C17H32S/c1-3-5-15-18-17(4-2)14-10-9-13-16-11-7-6-8-12-16/h4,16H,3,5-15H2,1-2H3/b17-4+
InChIKeyCEYSFNSOMMCEAN-HAVNEIBRSA-N
MW268.51 g/mol
LogP6.56
Rot. Bonds9

About [(E)-5-butylsulfanylhept-5-enyl]cyclohexane

[(E)-5-butylsulfanylhept-5-enyl]cyclohexane (PubChem CID 137383282) has the molecular formula C17H32S and a molecular weight of 268.51 g/mol. Its IUPAC name is [(E)-5-butylsulfanylhept-5-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-5-butylsulfanylhept-5-enyl]cyclohexane
PubChem CID137383282
Molecular FormulaC17H32S
Molecular Weight268.51 g/mol
Exact Mass268.22
IUPAC Name[(E)-5-butylsulfanylhept-5-enyl]cyclohexane
SMILESC/C=C(\CCCCC1CCCCC1)SCCCC
InChIInChI=1S/C17H32S/c1-3-5-15-18-17(4-2)14-10-9-13-16-11-7-6-8-12-16/h4,16H,3,5-15H2,1-2H3/b17-4+
InChIKeyCEYSFNSOMMCEAN-HAVNEIBRSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.51
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [(E)-5-butylsulfanylhept-5-enyl]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-5-butylsulfanylhept-5-enyl]cyclohexane?
The IUPAC name of [(E)-5-butylsulfanylhept-5-enyl]cyclohexane (CID 137383282) is [(E)-5-butylsulfanylhept-5-enyl]cyclohexane.
What is the SMILES notation for [(E)-5-butylsulfanylhept-5-enyl]cyclohexane?
The canonical SMILES for [(E)-5-butylsulfanylhept-5-enyl]cyclohexane is C/C=C(\CCCCC1CCCCC1)SCCCC.
What is the InChIKey of [(E)-5-butylsulfanylhept-5-enyl]cyclohexane?
The InChIKey is CEYSFNSOMMCEAN-HAVNEIBRSA-N. The full InChI is InChI=1S/C17H32S/c1-3-5-15-18-17(4-2)14-10-9-13-16-11-7-6-8-12-16/h4,16H,3,5-15H2,1-2H3/b17-4+.
What are the key properties of [(E)-5-butylsulfanylhept-5-enyl]cyclohexane?
[(E)-5-butylsulfanylhept-5-enyl]cyclohexane has a molecular weight of 268.51 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5-butylsulfanylhept-5-enyl]cyclohexane is sourced from PubChem (CID 137383282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).