octadec-2-enylsulfanylbenzene

C24H40S — CID 54280562

IUPACoctadec-2-enylsulfanylbenzene
SMILESCCCCCCCCCCCCCCCC=CCSc1ccccc1
InChIInChI=1S/C24H40S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-24-21-18-17-19-22-24/h16-22H,2-15,23H2,1H3
InChIKeyRQMLQGSSRHZKOO-UHFFFAOYSA-N
MW360.65 g/mol
LogP8.82
Rot. Bonds17

About octadec-2-enylsulfanylbenzene

octadec-2-enylsulfanylbenzene (PubChem CID 54280562) has the molecular formula C24H40S and a molecular weight of 360.65 g/mol. Its IUPAC name is octadec-2-enylsulfanylbenzene.

Molecular Properties

Compound Nameoctadec-2-enylsulfanylbenzene
PubChem CID54280562
Molecular FormulaC24H40S
Molecular Weight360.65 g/mol
Exact Mass360.29
IUPAC Nameoctadec-2-enylsulfanylbenzene
SMILESCCCCCCCCCCCCCCCC=CCSc1ccccc1
InChIInChI=1S/C24H40S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-24-21-18-17-19-22-24/h16-22H,2-15,23H2,1H3
InChIKeyRQMLQGSSRHZKOO-UHFFFAOYSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.65
LogP ≤ 58.82
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

non-1-enylsulfanylbenzene
CID 72760837
dodec-4-enylbenzene
CID 54018856
nonadec-10-enylbenzene
CID 54264053
heptadec-4-enylbenzene
CID 173163087
[(Z)-heptadec-10-enyl]benzene
CID 175397737
heptatriaconta-9,28-dien-19-ylbenzene
CID 173349242
CID 70492452
CID 70492452
nickel;octylsulfanylbenzene
CID 157277722
2-hept-2-enylsulfanylphenol
CID 54274427
[(E)-octadec-1-enyl]benzene
CID 22722345
[(E)-oct-2-enyl]benzene
CID 13383320
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462

Frequently Asked Questions

What is the IUPAC name of octadec-2-enylsulfanylbenzene?
The IUPAC name of octadec-2-enylsulfanylbenzene (CID 54280562) is octadec-2-enylsulfanylbenzene.
What is the SMILES notation for octadec-2-enylsulfanylbenzene?
The canonical SMILES for octadec-2-enylsulfanylbenzene is CCCCCCCCCCCCCCCC=CCSc1ccccc1.
What is the InChIKey of octadec-2-enylsulfanylbenzene?
The InChIKey is RQMLQGSSRHZKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-25-24-21-18-17-19-22-24/h16-22H,2-15,23H2,1H3.
What are the key properties of octadec-2-enylsulfanylbenzene?
octadec-2-enylsulfanylbenzene has a molecular weight of 360.65 g/mol, XLogP of 8.82, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-2-enylsulfanylbenzene is sourced from PubChem (CID 54280562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).