but-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane

C21H24OSi — CID 140727695

IUPACbut-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane
SMILESC=CCC[Si](OC(C=C)C=C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24OSi/c1-4-7-18-23(22-19(5-2)6-3,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h4-6,8-17,19H,1-3,7,18H2
InChIKeyDSLXVZMMUHLBKY-UHFFFAOYSA-N
MW320.51 g/mol
LogP4.08
Rot. Bonds9

About but-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane

but-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane (PubChem CID 140727695) has the molecular formula C21H24OSi and a molecular weight of 320.51 g/mol. Its IUPAC name is but-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane.

Molecular Properties

Compound Namebut-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane
PubChem CID140727695
Molecular FormulaC21H24OSi
Molecular Weight320.51 g/mol
Exact Mass320.16
IUPAC Namebut-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane
SMILESC=CCC[Si](OC(C=C)C=C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24OSi/c1-4-7-18-23(22-19(5-2)6-3,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h4-6,8-17,19H,1-3,7,18H2
InChIKeyDSLXVZMMUHLBKY-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane?
The IUPAC name of but-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane (CID 140727695) is but-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane.
What is the SMILES notation for but-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane?
The canonical SMILES for but-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane is C=CCC[Si](OC(C=C)C=C)(c1ccccc1)c1ccccc1.
What is the InChIKey of but-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane?
The InChIKey is DSLXVZMMUHLBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24OSi/c1-4-7-18-23(22-19(5-2)6-3,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h4-6,8-17,19H,1-3,7,18H2.
What are the key properties of but-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane?
but-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane has a molecular weight of 320.51 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-penta-1,4-dien-3-yloxy-diphenylsilane is sourced from PubChem (CID 140727695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).