[(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane

C20H25PS — CID 122379298

IUPAC[(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESCCCCCC/C=C\P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25PS/c1-2-3-4-5-6-13-18-21(22,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-18H,2-6H2,1H3/b18-13-
InChIKeyPMTHJQNFPGKJHH-AQTBWJFISA-N
MW328.46 g/mol
LogP5.60
Rot. Bonds8

About [(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane

[(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 122379298) has the molecular formula C20H25PS and a molecular weight of 328.46 g/mol. Its IUPAC name is [(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID122379298
Molecular FormulaC20H25PS
Molecular Weight328.46 g/mol
Exact Mass328.14
IUPAC Name[(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESCCCCCC/C=C\P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25PS/c1-2-3-4-5-6-13-18-21(22,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-18H,2-6H2,1H3/b18-13-
InChIKeyPMTHJQNFPGKJHH-AQTBWJFISA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 154722495
dioctyl-phenyl-sulfanylidene-λ5-phosphane
CID 54529232
non-3-enylidene(triphenyl)-λ5-phosphane
CID 57280136
[(E)-octadec-1-enyl]benzene
CID 22722345
(E)-N-diphenylphosphorylheptan-1-imine
CID 134884295
heptadec-4-enylbenzene
CID 173163087
[(Z)-heptadec-10-enyl]benzene
CID 175397737
dodec-4-enylbenzene
CID 54018856
nonadec-10-enylbenzene
CID 54264053
diphenyl-sulfanylidene-[(Z)-2-trimethylsilylethenyl]-λ5-phosphane
CID 122379303
[(Z)-octadec-9-enoxy]-phenylphosphinic acid
CID 175578268
neodymium(3+);tris([(Z)-octadec-9-enoxy]-phenylphosphinate)
CID 175578267

Frequently Asked Questions

What is the IUPAC name of [(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane (CID 122379298) is [(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane is CCCCCC/C=C\P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is PMTHJQNFPGKJHH-AQTBWJFISA-N. The full InChI is InChI=1S/C20H25PS/c1-2-3-4-5-6-13-18-21(22,19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-18H,2-6H2,1H3/b18-13-.
What are the key properties of [(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane?
[(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 328.46 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-oct-1-enyl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 122379298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).