penta-1,4-dien-2-yl(diphenyl)silane

C17H18Si — CID 173042120

IUPACpenta-1,4-dien-2-yl(diphenyl)silane
SMILESC=CCC(=C)[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18Si/c1-3-10-15(2)18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h3-9,11-14,18H,1-2,10H2
InChIKeyPTNUPHXTSNECJV-UHFFFAOYSA-N
MW250.42 g/mol
LogP2.70
Rot. Bonds5

About penta-1,4-dien-2-yl(diphenyl)silane

penta-1,4-dien-2-yl(diphenyl)silane (PubChem CID 173042120) has the molecular formula C17H18Si and a molecular weight of 250.42 g/mol. Its IUPAC name is penta-1,4-dien-2-yl(diphenyl)silane.

Molecular Properties

Compound Namepenta-1,4-dien-2-yl(diphenyl)silane
PubChem CID173042120
Molecular FormulaC17H18Si
Molecular Weight250.42 g/mol
Exact Mass250.12
IUPAC Namepenta-1,4-dien-2-yl(diphenyl)silane
SMILESC=CCC(=C)[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18Si/c1-3-10-15(2)18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h3-9,11-14,18H,1-2,10H2
InChIKeyPTNUPHXTSNECJV-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.42
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 173155039
3-methylidenehexa-1,5-dienylbenzene
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methyl-phenyl-prop-2-enylsilane
CID 71402339
1-phenylbut-3-ene-1-thione
CID 23072627
ethenyl-hydroxysilyl-phenylsilane
CID 175119438
[(1Z)-2-bromo-1-chloropenta-1,4-dienyl]benzene
CID 125477290
3-phenyl-N-(3-phenylhexa-2,5-dienyl)hexa-2,5-dien-1-amine
CID 130400295
bis(ethenyl)-phenylsilane
CID 15646549
N,N-dibenzylbut-3-enamide
CID 134848345
2-(triphenyl-λ5-phosphanylidene)pent-4-enoic acid
CID 87257765
1-phenylethenylbenzene;N-prop-2-enylprop-2-en-1-amine
CID 67437631
[(1Z)-2-methylpenta-1,4-dienyl]benzene
CID 14247244

Frequently Asked Questions

What is the IUPAC name of penta-1,4-dien-2-yl(diphenyl)silane?
The IUPAC name of penta-1,4-dien-2-yl(diphenyl)silane (CID 173042120) is penta-1,4-dien-2-yl(diphenyl)silane.
What is the SMILES notation for penta-1,4-dien-2-yl(diphenyl)silane?
The canonical SMILES for penta-1,4-dien-2-yl(diphenyl)silane is C=CCC(=C)[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of penta-1,4-dien-2-yl(diphenyl)silane?
The InChIKey is PTNUPHXTSNECJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Si/c1-3-10-15(2)18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h3-9,11-14,18H,1-2,10H2.
What are the key properties of penta-1,4-dien-2-yl(diphenyl)silane?
penta-1,4-dien-2-yl(diphenyl)silane has a molecular weight of 250.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for penta-1,4-dien-2-yl(diphenyl)silane is sourced from PubChem (CID 173042120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).