bis(3-chloropropyl) diethyl silicate

C10H22Cl2O4Si — CID 153327959

IUPACbis(3-chloropropyl) diethyl silicate
SMILESCCO[Si](OCC)(OCCCCl)OCCCCl
InChIInChI=1S/C10H22Cl2O4Si/c1-3-13-17(14-4-2,15-9-5-7-11)16-10-6-8-12/h3-10H2,1-2H3
InChIKeyBFHQRFGIJIMMQL-UHFFFAOYSA-N
MW305.27 g/mol
LogP2.79
Rot. Bonds12

About bis(3-chloropropyl) diethyl silicate

bis(3-chloropropyl) diethyl silicate (PubChem CID 153327959) has the molecular formula C10H22Cl2O4Si and a molecular weight of 305.27 g/mol. Its IUPAC name is bis(3-chloropropyl) diethyl silicate.

Molecular Properties

Compound Namebis(3-chloropropyl) diethyl silicate
PubChem CID153327959
Molecular FormulaC10H22Cl2O4Si
Molecular Weight305.27 g/mol
Exact Mass304.07
IUPAC Namebis(3-chloropropyl) diethyl silicate
SMILESCCO[Si](OCC)(OCCCCl)OCCCCl
InChIInChI=1S/C10H22Cl2O4Si/c1-3-13-17(14-4-2,15-9-5-7-11)16-10-6-8-12/h3-10H2,1-2H3
InChIKeyBFHQRFGIJIMMQL-UHFFFAOYSA-N
XLogP2.79
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 52.79
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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Related Compounds

3-chloropropyl trimethyl silicate
CID 87069699
tris(3-chloropropyl) methyl silicate
CID 153327963
diethyl dioctyl silicate
CID 154218739
tridodecyl ethyl silicate
CID 154324829
dibenzyl 4-chlorobutyl ethyl silicate
CID 70552278
4-aminobutyl triethyl silicate
CID 140519735
3-chloropropyl diethoxy prop-2-enyl silicate
CID 174682643
ethyl dimethyl pentyl silicate
CID 88851017
nonyl tripentyl silicate
CID 141280747
decyl trihexyl silicate
CID 141280760
tris(3-chloropropoxy)-hydroxysilane
CID 141299583
dibutyl dipentyl silicate
CID 524713

Frequently Asked Questions

What is the IUPAC name of bis(3-chloropropyl) diethyl silicate?
The IUPAC name of bis(3-chloropropyl) diethyl silicate (CID 153327959) is bis(3-chloropropyl) diethyl silicate.
What is the SMILES notation for bis(3-chloropropyl) diethyl silicate?
The canonical SMILES for bis(3-chloropropyl) diethyl silicate is CCO[Si](OCC)(OCCCCl)OCCCCl.
What is the InChIKey of bis(3-chloropropyl) diethyl silicate?
The InChIKey is BFHQRFGIJIMMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22Cl2O4Si/c1-3-13-17(14-4-2,15-9-5-7-11)16-10-6-8-12/h3-10H2,1-2H3.
What are the key properties of bis(3-chloropropyl) diethyl silicate?
bis(3-chloropropyl) diethyl silicate has a molecular weight of 305.27 g/mol, XLogP of 2.79, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chloropropyl) diethyl silicate is sourced from PubChem (CID 153327959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).