[(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'}

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Related Compounds

(2E,6E,10S,11R)-3,7,13-trimethyl-10-propan-2-yl-15-thiabicyclo[9.3.1]pentadeca-1(14),2,6,12-tetraene
CID 71727208
Methyl(2-(4-methylcyclohex-3-en-1-yl)propyl)sulfane
CID 134128395
5-Cyclohexyl-2,3-dihydrothiophene
CID 10899091
5-Cyclohexyl-2-methyl-2,3-dihydrothiophene
CID 68347668
1-Isopropyl-4-methyl-3,4-bis(methylthio)-1-cyclohexene
CID 375769
1-[(3Z,9Z)-17-butyl-9-(fluoromethyl)-20-methyl-11-[(Z)-prop-1-enyl]henicosa-3,6,9,12,15-pentaen-6-yl]-4-methylsulfanylcyclohexane
CID 132064437
(3,5-Dimethylcyclohexen-1-yl)-(3,5-dimethylcyclohex-2-en-1-yl)-(4-fluorocyclohexyl)-methyl-lambda4-sulfane
CID 167148406
(E)-3,7,11,15-tetramethyl-1-methylsulfanylhexadec-2-ene
CID 135231893
1-methyl-4-[(5E)-6-methyl-7,7-bis(methylsulfanyl)hepta-1,5-dien-2-yl]cyclohexene
CID 12453920
3-Methyl-2-thiabicyclo[4.4.0]dec-3-ene
CID 12570890
1-Butyl-2-butylsulfanyl-3-methyl-6-propan-2-ylcyclohexene
CID 12627278
3-Butyl-2-thiabicyclo[2.2.1]hept-5-ene
CID 13429919

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).