(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane

C19H20Si — CID 173384129

IUPAC(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane
SMILESCC1=CC(C)=C([SiH](c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H20Si/c1-15-13-16(2)19(14-15)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,20H,14H2,1-2H3
InChIKeyACUQMZMZSRIGQB-UHFFFAOYSA-N
MW276.46 g/mol
LogP3.23
Rot. Bonds3

About (2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane

(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane (PubChem CID 173384129) has the molecular formula C19H20Si and a molecular weight of 276.46 g/mol. Its IUPAC name is (2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane.

Molecular Properties

Compound Name(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane
PubChem CID173384129
Molecular FormulaC19H20Si
Molecular Weight276.46 g/mol
Exact Mass276.13
IUPAC Name(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane
SMILESCC1=CC(C)=C([SiH](c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H20Si/c1-15-13-16(2)19(14-15)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,20H,14H2,1-2H3
InChIKeyACUQMZMZSRIGQB-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.46
LogP ≤ 53.23
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 (2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane?
The IUPAC name of (2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane (CID 173384129) is (2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane.
What is the SMILES notation for (2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane?
The canonical SMILES for (2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane is CC1=CC(C)=C([SiH](c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane?
The InChIKey is ACUQMZMZSRIGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Si/c1-15-13-16(2)19(14-15)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,20H,14H2,1-2H3.
What are the key properties of (2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane?
(2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane has a molecular weight of 276.46 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylcyclopenta-1,3-dien-1-yl)-diphenylsilane is sourced from PubChem (CID 173384129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).