[(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane

C22H27PS — CID 101370952

IUPAC[(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESCC(C)=CCC/C(C)=C/CP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27PS/c1-19(2)11-10-12-20(3)17-18-23(24,21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-9,11,13-17H,10,12,18H2,1-3H3/b20-17+
InChIKeyYNFDJYORWMLILX-LVZFUZTISA-N
MW354.50 g/mol
LogP5.81
Rot. Bonds7

About [(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane

[(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 101370952) has the molecular formula C22H27PS and a molecular weight of 354.50 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID101370952
Molecular FormulaC22H27PS
Molecular Weight354.50 g/mol
Exact Mass354.16
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane
SMILESCC(C)=CCC/C(C)=C/CP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27PS/c1-19(2)11-10-12-20(3)17-18-23(24,21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-9,11,13-17H,10,12,18H2,1-3H3/b20-17+
InChIKeyYNFDJYORWMLILX-LVZFUZTISA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 46179845
(3Z)-4,8-dimethyl-1-phenylnona-3,7-dien-1-ol
CID 14027932
[[(2E)-3,7-dimethylocta-2,6-dienyl]disulfanyl]benzene
CID 87471921
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-phenylbutane-1,3-dione
CID 10063286
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene
CID 70359002
S-phenyl (3E)-4,8-dimethylnona-3,7-dienethioate
CID 10540304
2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole
CID 53325757
3,7-dimethylocta-2,6-dienyl 2-oxo-2-phenylacetate
CID 140658272

Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane (CID 101370952) is [(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane is CC(C)=CCC/C(C)=C/CP(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is YNFDJYORWMLILX-LVZFUZTISA-N. The full InChI is InChI=1S/C22H27PS/c1-19(2)11-10-12-20(3)17-18-23(24,21-13-6-4-7-14-21)22-15-8-5-9-16-22/h4-9,11,13-17H,10,12,18H2,1-3H3/b20-17+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane?
[(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 354.50 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 101370952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).