(3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane

C21H24Si — CID 173383435

IUPAC(3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane
SMILESCCCC1=C(Cc2ccccc2)C=C([SiH2]c2ccccc2)C1
InChIInChI=1S/C21H24Si/c1-2-9-18-15-21(22-20-12-7-4-8-13-20)16-19(18)14-17-10-5-3-6-11-17/h3-8,10-13,16H,2,9,14-15,22H2,1H3
InChIKeyGZVVIIQDPYLKMK-UHFFFAOYSA-N
MW304.51 g/mol
LogP4.11
Rot. Bonds6

About (3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane

(3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane (PubChem CID 173383435) has the molecular formula C21H24Si and a molecular weight of 304.51 g/mol. Its IUPAC name is (3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane.

Molecular Properties

Compound Name(3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane
PubChem CID173383435
Molecular FormulaC21H24Si
Molecular Weight304.51 g/mol
Exact Mass304.16
IUPAC Name(3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane
SMILESCCCC1=C(Cc2ccccc2)C=C([SiH2]c2ccccc2)C1
InChIInChI=1S/C21H24Si/c1-2-9-18-15-21(22-20-12-7-4-8-13-20)16-19(18)14-17-10-5-3-6-11-17/h3-8,10-13,16H,2,9,14-15,22H2,1H3
InChIKeyGZVVIIQDPYLKMK-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane?
The IUPAC name of (3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane (CID 173383435) is (3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane.
What is the SMILES notation for (3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane?
The canonical SMILES for (3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane is CCCC1=C(Cc2ccccc2)C=C([SiH2]c2ccccc2)C1.
What is the InChIKey of (3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane?
The InChIKey is GZVVIIQDPYLKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Si/c1-2-9-18-15-21(22-20-12-7-4-8-13-20)16-19(18)14-17-10-5-3-6-11-17/h3-8,10-13,16H,2,9,14-15,22H2,1H3.
What are the key properties of (3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane?
(3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane has a molecular weight of 304.51 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-4-propylcyclopenta-1,3-dien-1-yl)-phenylsilane is sourced from PubChem (CID 173383435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).