1-chloroethyl trimethyl silicate

C5H13ClO4Si — CID 174982411

IUPAC1-chloroethyl trimethyl silicate
SMILESCO[Si](OC)(OC)OC(C)Cl
InChIInChI=1S/C5H13ClO4Si/c1-5(6)10-11(7-2,8-3)9-4/h5H,1-4H3
InChIKeyNETRTRUVLSCPRZ-UHFFFAOYSA-N
MW200.69 g/mol
LogP0.96
Rot. Bonds5

About 1-chloroethyl trimethyl silicate

1-chloroethyl trimethyl silicate (PubChem CID 174982411) has the molecular formula C5H13ClO4Si and a molecular weight of 200.69 g/mol. Its IUPAC name is 1-chloroethyl trimethyl silicate.

Molecular Properties

Compound Name1-chloroethyl trimethyl silicate
PubChem CID174982411
Molecular FormulaC5H13ClO4Si
Molecular Weight200.69 g/mol
Exact Mass200.03
IUPAC Name1-chloroethyl trimethyl silicate
SMILESCO[Si](OC)(OC)OC(C)Cl
InChIInChI=1S/C5H13ClO4Si/c1-5(6)10-11(7-2,8-3)9-4/h5H,1-4H3
InChIKeyNETRTRUVLSCPRZ-UHFFFAOYSA-N
XLogP0.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 50.96
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 1-chloroethyl trimethyl silicate?
The IUPAC name of 1-chloroethyl trimethyl silicate (CID 174982411) is 1-chloroethyl trimethyl silicate.
What is the SMILES notation for 1-chloroethyl trimethyl silicate?
The canonical SMILES for 1-chloroethyl trimethyl silicate is CO[Si](OC)(OC)OC(C)Cl.
What is the InChIKey of 1-chloroethyl trimethyl silicate?
The InChIKey is NETRTRUVLSCPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13ClO4Si/c1-5(6)10-11(7-2,8-3)9-4/h5H,1-4H3.
What are the key properties of 1-chloroethyl trimethyl silicate?
1-chloroethyl trimethyl silicate has a molecular weight of 200.69 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethyl trimethyl silicate is sourced from PubChem (CID 174982411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).