methyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane

C23H31PSi — CID 101090572

IUPACmethyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane
SMILESC/C=C(\C=C\C=P(C)(c1ccccc1)c1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C23H31PSi/c1-6-21(20-25(3,4)5)14-13-19-24(2,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h6-19H,20H2,1-5H3/b14-13+,21-6+
InChIKeyFTNMPTFOGQRFOT-SKYIISTCSA-N
MW366.56 g/mol
LogP5.93
Rot. Bonds6

About methyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane

methyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane (PubChem CID 101090572) has the molecular formula C23H31PSi and a molecular weight of 366.56 g/mol. Its IUPAC name is methyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane.

Molecular Properties

Compound Namemethyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane
PubChem CID101090572
Molecular FormulaC23H31PSi
Molecular Weight366.56 g/mol
Exact Mass366.19
IUPAC Namemethyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane
SMILESC/C=C(\C=C\C=P(C)(c1ccccc1)c1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C23H31PSi/c1-6-21(20-25(3,4)5)14-13-19-24(2,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h6-19H,20H2,1-5H3/b14-13+,21-6+
InChIKeyFTNMPTFOGQRFOT-SKYIISTCSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.56
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-3-methyl-4-trimethylsilylbut-2-enyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 46179845
[(2E,4Z)-hepta-2,4,6-trien-3-yl]-dimethyl-phenylsilane
CID 174010632
trimethyl(2-phenylpenta-2,3-dienyl)silane
CID 102425929
(1R)-1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol
CID 11183924
trimethyl-[(E)-2-phenyl-3-trimethylsilylprop-1-enyl]silane
CID 10015597
(8Z,9Z)-8-ethylidene-1-phenyldodeca-9,11-dien-4-amine
CID 142137977
ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate
CID 11471690
[(1Z,3Z,5E)-2-ethylhepta-1,3,5-trienyl]benzene
CID 142148330
ethane;(3Z,5Z)-2-methylhepta-1,3,5-triene;toluene
CID 142426246
CID 50986602
CID 50986602
[(1E)-buta-1,3-dienyl]-dimethyl-phenylsilane
CID 11263945
CID 6394583
CID 6394583

Frequently Asked Questions

What is the IUPAC name of methyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane?
The IUPAC name of methyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane (CID 101090572) is methyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane.
What is the SMILES notation for methyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane?
The canonical SMILES for methyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane is C/C=C(\C=C\C=P(C)(c1ccccc1)c1ccccc1)C[Si](C)(C)C.
What is the InChIKey of methyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane?
The InChIKey is FTNMPTFOGQRFOT-SKYIISTCSA-N. The full InChI is InChI=1S/C23H31PSi/c1-6-21(20-25(3,4)5)14-13-19-24(2,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h6-19H,20H2,1-5H3/b14-13+,21-6+.
What are the key properties of methyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane?
methyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane has a molecular weight of 366.56 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-diphenyl-[(2E,4E)-4-(trimethylsilylmethyl)hexa-2,4-dienylidene]-λ5-phosphane is sourced from PubChem (CID 101090572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).