ethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]silane

C12H26O3Si — CID 20524797

IUPACethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]silane
SMILESC=C(C)COCCCC[Si](CC)(OC)OC
InChIInChI=1S/C12H26O3Si/c1-6-16(13-4,14-5)10-8-7-9-15-11-12(2)3/h2,6-11H2,1,3-5H3
InChIKeyIIWFTIDHYYANRY-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.11
Rot. Bonds10

About ethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]silane

ethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]silane (PubChem CID 20524797) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is ethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]silane.

Molecular Properties

Compound Nameethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]silane
PubChem CID20524797
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Nameethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]silane
SMILESC=C(C)COCCCC[Si](CC)(OC)OC
InChIInChI=1S/C12H26O3Si/c1-6-16(13-4,14-5)10-8-7-9-15-11-12(2)3/h2,6-11H2,1,3-5H3
InChIKeyIIWFTIDHYYANRY-UHFFFAOYSA-N
XLogP3.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]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 ethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]silane?
The IUPAC name of ethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]silane (CID 20524797) is ethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]silane.
What is the SMILES notation for ethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]silane?
The canonical SMILES for ethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]silane is C=C(C)COCCCC[Si](CC)(OC)OC.
What is the InChIKey of ethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]silane?
The InChIKey is IIWFTIDHYYANRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-6-16(13-4,14-5)10-8-7-9-15-11-12(2)3/h2,6-11H2,1,3-5H3.
What are the key properties of ethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]silane?
ethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]silane has a molecular weight of 246.42 g/mol, XLogP of 3.11, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethoxy-[4-(2-methylprop-2-enoxy)butyl]silane is sourced from PubChem (CID 20524797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).