tris(3-chloropropyl) methyl silicate

C10H21Cl3O4Si — CID 153327963

IUPACtris(3-chloropropyl) methyl silicate
SMILESCO[Si](OCCCCl)(OCCCCl)OCCCCl
InChIInChI=1S/C10H21Cl3O4Si/c1-14-18(15-8-2-5-11,16-9-3-6-12)17-10-4-7-13/h2-10H2,1H3
InChIKeyVSYRKGFBTQRZMD-UHFFFAOYSA-N
MW339.72 g/mol
LogP3.00
Rot. Bonds13

About tris(3-chloropropyl) methyl silicate

tris(3-chloropropyl) methyl silicate (PubChem CID 153327963) has the molecular formula C10H21Cl3O4Si and a molecular weight of 339.72 g/mol. Its IUPAC name is tris(3-chloropropyl) methyl silicate.

Molecular Properties

Compound Nametris(3-chloropropyl) methyl silicate
PubChem CID153327963
Molecular FormulaC10H21Cl3O4Si
Molecular Weight339.72 g/mol
Exact Mass338.03
IUPAC Nametris(3-chloropropyl) methyl silicate
SMILESCO[Si](OCCCCl)(OCCCCl)OCCCCl
InChIInChI=1S/C10H21Cl3O4Si/c1-14-18(15-8-2-5-11,16-9-3-6-12)17-10-4-7-13/h2-10H2,1H3
InChIKeyVSYRKGFBTQRZMD-UHFFFAOYSA-N
XLogP3.00
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.72
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(3-chloropropyl) methyl silicate?
The IUPAC name of tris(3-chloropropyl) methyl silicate (CID 153327963) is tris(3-chloropropyl) methyl silicate.
What is the SMILES notation for tris(3-chloropropyl) methyl silicate?
The canonical SMILES for tris(3-chloropropyl) methyl silicate is CO[Si](OCCCCl)(OCCCCl)OCCCCl.
What is the InChIKey of tris(3-chloropropyl) methyl silicate?
The InChIKey is VSYRKGFBTQRZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21Cl3O4Si/c1-14-18(15-8-2-5-11,16-9-3-6-12)17-10-4-7-13/h2-10H2,1H3.
What are the key properties of tris(3-chloropropyl) methyl silicate?
tris(3-chloropropyl) methyl silicate has a molecular weight of 339.72 g/mol, XLogP of 3.00, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-chloropropyl) methyl silicate is sourced from PubChem (CID 153327963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).