1-ethylsulfanyl-4-hex-5-enylbenzene

C14H20S — CID 143817535

IUPAC1-ethylsulfanyl-4-hex-5-enylbenzene
SMILESC=CCCCCc1ccc(SCC)cc1
InChIInChI=1S/C14H20S/c1-3-5-6-7-8-13-9-11-14(12-10-13)15-4-2/h3,9-12H,1,4-8H2,2H3
InChIKeyXYAPWHXIJDLUKF-UHFFFAOYSA-N
MW220.38 g/mol
LogP4.70
Rot. Bonds7

About 1-ethylsulfanyl-4-hex-5-enylbenzene

1-ethylsulfanyl-4-hex-5-enylbenzene (PubChem CID 143817535) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-hex-5-enylbenzene.

Molecular Properties

Compound Name1-ethylsulfanyl-4-hex-5-enylbenzene
PubChem CID143817535
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Name1-ethylsulfanyl-4-hex-5-enylbenzene
SMILESC=CCCCCc1ccc(SCC)cc1
InChIInChI=1S/C14H20S/c1-3-5-6-7-8-13-9-11-14(12-10-13)15-4-2/h3,9-12H,1,4-8H2,2H3
InChIKeyXYAPWHXIJDLUKF-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-oct-7-enylbenzene
CID 91553239
1-ethylsulfanyl-4-prop-2-enylbenzene
CID 2758925
1-hex-5-enyl-4-(4-methylphenyl)benzene
CID 59812350
1-hex-5-enyl-4-[2-[4-(4-pentylphenyl)phenyl]ethynyl]benzene
CID 139764887
1-fluoro-4-non-8-enylbenzene
CID 57222789
4-tetradec-13-enylphenol
CID 157380665
1-hex-5-enyl-4-phenylbenzene
CID 59235470
1-but-3-enyl-4-hexylbenzene
CID 91077567
1-ethoxy-4-[2-(4-hex-5-enylphenyl)ethynyl]benzene
CID 139767171
hept-6-enylbenzene
CID 15608161
4-hex-5-enylbenzonitrile
CID 582246

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4-hex-5-enylbenzene?
The IUPAC name of 1-ethylsulfanyl-4-hex-5-enylbenzene (CID 143817535) is 1-ethylsulfanyl-4-hex-5-enylbenzene.
What is the SMILES notation for 1-ethylsulfanyl-4-hex-5-enylbenzene?
The canonical SMILES for 1-ethylsulfanyl-4-hex-5-enylbenzene is C=CCCCCc1ccc(SCC)cc1.
What is the InChIKey of 1-ethylsulfanyl-4-hex-5-enylbenzene?
The InChIKey is XYAPWHXIJDLUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S/c1-3-5-6-7-8-13-9-11-14(12-10-13)15-4-2/h3,9-12H,1,4-8H2,2H3.
What are the key properties of 1-ethylsulfanyl-4-hex-5-enylbenzene?
1-ethylsulfanyl-4-hex-5-enylbenzene has a molecular weight of 220.38 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-hex-5-enylbenzene is sourced from PubChem (CID 143817535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).