2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane

C22H32O2Si — CID 91737884

IUPAC2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane
SMILESCCCO[Si](OC(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H32O2Si/c1-6-17-23-25(20-13-9-7-10-14-20,21-15-11-8-12-16-21)24-22(18(2)3)19(4)5/h7-16,18-19,22H,6,17H2,1-5H3
InChIKeyQJBIMCFTKPWKDC-UHFFFAOYSA-N
MW356.58 g/mol
LogP4.37
Rot. Bonds9

About 2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane

2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane (PubChem CID 91737884) has the molecular formula C22H32O2Si and a molecular weight of 356.58 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane
PubChem CID91737884
Molecular FormulaC22H32O2Si
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Name2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane
SMILESCCCO[Si](OC(C(C)C)C(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H32O2Si/c1-6-17-23-25(20-13-9-7-10-14-20,21-15-11-8-12-16-21)24-22(18(2)3)19(4)5/h7-16,18-19,22H,6,17H2,1-5H3
InChIKeyQJBIMCFTKPWKDC-UHFFFAOYSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane 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 2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane?
The IUPAC name of 2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane (CID 91737884) is 2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane.
What is the SMILES notation for 2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane?
The canonical SMILES for 2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane is CCCO[Si](OC(C(C)C)C(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane?
The InChIKey is QJBIMCFTKPWKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2Si/c1-6-17-23-25(20-13-9-7-10-14-20,21-15-11-8-12-16-21)24-22(18(2)3)19(4)5/h7-16,18-19,22H,6,17H2,1-5H3.
What are the key properties of 2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane?
2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane has a molecular weight of 356.58 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yloxy-diphenyl-propoxysilane is sourced from PubChem (CID 91737884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).