1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane

C11H20O3Si — CID 22648557

IUPAC1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane
SMILESCCC(C1=CC=CC1)[Si](OC)(OC)OC
InChIInChI=1S/C11H20O3Si/c1-5-11(10-8-6-7-9-10)15(12-2,13-3)14-4/h6-8,11H,5,9H2,1-4H3
InChIKeyCOAHCMMARRHKFY-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.53
Rot. Bonds6

About 1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane

1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane (PubChem CID 22648557) has the molecular formula C11H20O3Si and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane
PubChem CID22648557
Molecular FormulaC11H20O3Si
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Name1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane
SMILESCCC(C1=CC=CC1)[Si](OC)(OC)OC
InChIInChI=1S/C11H20O3Si/c1-5-11(10-8-6-7-9-10)15(12-2,13-3)14-4/h6-8,11H,5,9H2,1-4H3
InChIKeyCOAHCMMARRHKFY-UHFFFAOYSA-N
XLogP2.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane 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 1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane?
The IUPAC name of 1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane (CID 22648557) is 1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane is CCC(C1=CC=CC1)[Si](OC)(OC)OC.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane?
The InChIKey is COAHCMMARRHKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3Si/c1-5-11(10-8-6-7-9-10)15(12-2,13-3)14-4/h6-8,11H,5,9H2,1-4H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane?
1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane has a molecular weight of 228.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-ylpropyl(trimethoxy)silane is sourced from PubChem (CID 22648557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).