trimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]silane

C12H20O3Si — CID 139677316

IUPACtrimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]silane
SMILESCO[Si](C=CC1(C)C=CC=CC1)(OC)OC
InChIInChI=1S/C12H20O3Si/c1-12(8-6-5-7-9-12)10-11-16(13-2,14-3)15-4/h5-8,10-11H,9H2,1-4H3
InChIKeyIZRWKFSNOOFDCG-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.48
Rot. Bonds5

About trimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]silane

trimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]silane (PubChem CID 139677316) has the molecular formula C12H20O3Si and a molecular weight of 240.38 g/mol. Its IUPAC name is trimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]silane.

Molecular Properties

Compound Nametrimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]silane
PubChem CID139677316
Molecular FormulaC12H20O3Si
Molecular Weight240.38 g/mol
Exact Mass240.12
IUPAC Nametrimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]silane
SMILESCO[Si](C=CC1(C)C=CC=CC1)(OC)OC
InChIInChI=1S/C12H20O3Si/c1-12(8-6-5-7-9-12)10-11-16(13-2,14-3)15-4/h5-8,10-11H,9H2,1-4H3
InChIKeyIZRWKFSNOOFDCG-UHFFFAOYSA-N
XLogP2.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]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 trimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]silane?
The IUPAC name of trimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]silane (CID 139677316) is trimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]silane.
What is the SMILES notation for trimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]silane?
The canonical SMILES for trimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]silane is CO[Si](C=CC1(C)C=CC=CC1)(OC)OC.
What is the InChIKey of trimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]silane?
The InChIKey is IZRWKFSNOOFDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3Si/c1-12(8-6-5-7-9-12)10-11-16(13-2,14-3)15-4/h5-8,10-11H,9H2,1-4H3.
What are the key properties of trimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]silane?
trimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]silane has a molecular weight of 240.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]silane is sourced from PubChem (CID 139677316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).