diethoxy-methyl-phenylsilane;oxasilinane

C15H28O3Si2 — CID 175344228

IUPACdiethoxy-methyl-phenylsilane;oxasilinane
SMILESC1CC[SiH2]OC1.CCO[Si](C)(OCC)c1ccccc1
InChIInChI=1S/C11H18O2Si.C4H10OSi/c1-4-12-14(3,13-5-2)11-9-7-6-8-10-11;1-2-4-6-5-3-1/h6-10H,4-5H2,1-3H3;1-4,6H2
InChIKeyKJUDNLVYVFWJLN-UHFFFAOYSA-N
MW312.56 g/mol
LogP2.34
Rot. Bonds5

About diethoxy-methyl-phenylsilane;oxasilinane

diethoxy-methyl-phenylsilane;oxasilinane (PubChem CID 175344228) has the molecular formula C15H28O3Si2 and a molecular weight of 312.56 g/mol. Its IUPAC name is diethoxy-methyl-phenylsilane;oxasilinane.

Molecular Properties

Compound Namediethoxy-methyl-phenylsilane;oxasilinane
PubChem CID175344228
Molecular FormulaC15H28O3Si2
Molecular Weight312.56 g/mol
Exact Mass312.16
IUPAC Namediethoxy-methyl-phenylsilane;oxasilinane
SMILESC1CC[SiH2]OC1.CCO[Si](C)(OCC)c1ccccc1
InChIInChI=1S/C11H18O2Si.C4H10OSi/c1-4-12-14(3,13-5-2)11-9-7-6-8-10-11;1-2-4-6-5-3-1/h6-10H,4-5H2,1-3H3;1-4,6H2
InChIKeyKJUDNLVYVFWJLN-UHFFFAOYSA-N
XLogP2.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.56
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diethoxy-methyl-phenylsilane;oxasilinane 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 diethoxy-methyl-phenylsilane;oxasilinane?
The IUPAC name of diethoxy-methyl-phenylsilane;oxasilinane (CID 175344228) is diethoxy-methyl-phenylsilane;oxasilinane.
What is the SMILES notation for diethoxy-methyl-phenylsilane;oxasilinane?
The canonical SMILES for diethoxy-methyl-phenylsilane;oxasilinane is C1CC[SiH2]OC1.CCO[Si](C)(OCC)c1ccccc1.
What is the InChIKey of diethoxy-methyl-phenylsilane;oxasilinane?
The InChIKey is KJUDNLVYVFWJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2Si.C4H10OSi/c1-4-12-14(3,13-5-2)11-9-7-6-8-10-11;1-2-4-6-5-3-1/h6-10H,4-5H2,1-3H3;1-4,6H2.
What are the key properties of diethoxy-methyl-phenylsilane;oxasilinane?
diethoxy-methyl-phenylsilane;oxasilinane has a molecular weight of 312.56 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-phenylsilane;oxasilinane is sourced from PubChem (CID 175344228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).