(3,3-diphenyl-1-trimethylsilylpropa-1,2-dienyl)-trimethylsilane

C21H28Si2 — CID 553602

IUPAC(3,3-diphenyl-1-trimethylsilylpropa-1,2-dienyl)-trimethylsilane
SMILESC[Si](C)(C)C(=C=C(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C21H28Si2/c1-22(2,3)21(23(4,5)6)17-20(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16H,1-6H3
InChIKeyKPVSKEZGSITOEY-UHFFFAOYSA-N
MW336.63 g/mol
LogP6.40
Rot. Bonds4

About (3,3-diphenyl-1-trimethylsilylpropa-1,2-dienyl)-trimethylsilane

(3,3-diphenyl-1-trimethylsilylpropa-1,2-dienyl)-trimethylsilane (PubChem CID 553602) has the molecular formula C21H28Si2 and a molecular weight of 336.63 g/mol. Its IUPAC name is (3,3-diphenyl-1-trimethylsilylpropa-1,2-dienyl)-trimethylsilane.

Molecular Properties

Compound Name(3,3-diphenyl-1-trimethylsilylpropa-1,2-dienyl)-trimethylsilane
PubChem CID553602
Molecular FormulaC21H28Si2
Molecular Weight336.63 g/mol
Exact Mass336.17
IUPAC Name(3,3-diphenyl-1-trimethylsilylpropa-1,2-dienyl)-trimethylsilane
SMILESC[Si](C)(C)C(=C=C(c1ccccc1)c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C21H28Si2/c1-22(2,3)21(23(4,5)6)17-20(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16H,1-6H3
InChIKeyKPVSKEZGSITOEY-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.63
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,3-diphenyl-1-trimethylsilylpropa-1,2-dienyl)-trimethylsilane?
The IUPAC name of (3,3-diphenyl-1-trimethylsilylpropa-1,2-dienyl)-trimethylsilane (CID 553602) is (3,3-diphenyl-1-trimethylsilylpropa-1,2-dienyl)-trimethylsilane.
What is the SMILES notation for (3,3-diphenyl-1-trimethylsilylpropa-1,2-dienyl)-trimethylsilane?
The canonical SMILES for (3,3-diphenyl-1-trimethylsilylpropa-1,2-dienyl)-trimethylsilane is C[Si](C)(C)C(=C=C(c1ccccc1)c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (3,3-diphenyl-1-trimethylsilylpropa-1,2-dienyl)-trimethylsilane?
The InChIKey is KPVSKEZGSITOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28Si2/c1-22(2,3)21(23(4,5)6)17-20(18-13-9-7-10-14-18)19-15-11-8-12-16-19/h7-16H,1-6H3.
What are the key properties of (3,3-diphenyl-1-trimethylsilylpropa-1,2-dienyl)-trimethylsilane?
(3,3-diphenyl-1-trimethylsilylpropa-1,2-dienyl)-trimethylsilane has a molecular weight of 336.63 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenyl-1-trimethylsilylpropa-1,2-dienyl)-trimethylsilane is sourced from PubChem (CID 553602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).