[chloromethyl(propanoyloxy)silyl] propanoate

C7H13ClO4Si — CID 123202742

IUPAC[chloromethyl(propanoyloxy)silyl] propanoate
SMILESCCC(=O)O[SiH](CCl)OC(=O)CC
InChIInChI=1S/C7H13ClO4Si/c1-3-6(9)11-13(5-8)12-7(10)4-2/h13H,3-5H2,1-2H3
InChIKeyLTPVDGACURIZHC-UHFFFAOYSA-N
MW224.72 g/mol
LogP0.89
Rot. Bonds5

About [chloromethyl(propanoyloxy)silyl] propanoate

[chloromethyl(propanoyloxy)silyl] propanoate (PubChem CID 123202742) has the molecular formula C7H13ClO4Si and a molecular weight of 224.72 g/mol. Its IUPAC name is [chloromethyl(propanoyloxy)silyl] propanoate.

Molecular Properties

Compound Name[chloromethyl(propanoyloxy)silyl] propanoate
PubChem CID123202742
Molecular FormulaC7H13ClO4Si
Molecular Weight224.72 g/mol
Exact Mass224.03
IUPAC Name[chloromethyl(propanoyloxy)silyl] propanoate
SMILESCCC(=O)O[SiH](CCl)OC(=O)CC
InChIInChI=1S/C7H13ClO4Si/c1-3-6(9)11-13(5-8)12-7(10)4-2/h13H,3-5H2,1-2H3
InChIKeyLTPVDGACURIZHC-UHFFFAOYSA-N
XLogP0.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 [chloromethyl(propanoyloxy)silyl] propanoate?
The IUPAC name of [chloromethyl(propanoyloxy)silyl] propanoate (CID 123202742) is [chloromethyl(propanoyloxy)silyl] propanoate.
What is the SMILES notation for [chloromethyl(propanoyloxy)silyl] propanoate?
The canonical SMILES for [chloromethyl(propanoyloxy)silyl] propanoate is CCC(=O)O[SiH](CCl)OC(=O)CC.
What is the InChIKey of [chloromethyl(propanoyloxy)silyl] propanoate?
The InChIKey is LTPVDGACURIZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO4Si/c1-3-6(9)11-13(5-8)12-7(10)4-2/h13H,3-5H2,1-2H3.
What are the key properties of [chloromethyl(propanoyloxy)silyl] propanoate?
[chloromethyl(propanoyloxy)silyl] propanoate has a molecular weight of 224.72 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [chloromethyl(propanoyloxy)silyl] propanoate is sourced from PubChem (CID 123202742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).