3-chloropropyl trimethyl silicate

C6H15ClO4Si — CID 87069699

IUPAC3-chloropropyl trimethyl silicate
SMILESCO[Si](OC)(OC)OCCCCl
InChIInChI=1S/C6H15ClO4Si/c1-8-12(9-2,10-3)11-6-4-5-7/h4-6H2,1-3H3
InChIKeyOHHMVLNIIRKLSD-UHFFFAOYSA-N
MW214.72 g/mol
LogP1.01
Rot. Bonds7

About 3-chloropropyl trimethyl silicate

3-chloropropyl trimethyl silicate (PubChem CID 87069699) has the molecular formula C6H15ClO4Si and a molecular weight of 214.72 g/mol. Its IUPAC name is 3-chloropropyl trimethyl silicate.

Molecular Properties

Compound Name3-chloropropyl trimethyl silicate
PubChem CID87069699
Molecular FormulaC6H15ClO4Si
Molecular Weight214.72 g/mol
Exact Mass214.04
IUPAC Name3-chloropropyl trimethyl silicate
SMILESCO[Si](OC)(OC)OCCCCl
InChIInChI=1S/C6H15ClO4Si/c1-8-12(9-2,10-3)11-6-4-5-7/h4-6H2,1-3H3
InChIKeyOHHMVLNIIRKLSD-UHFFFAOYSA-N
XLogP1.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 51.01
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 3-chloropropyl trimethyl silicate?
The IUPAC name of 3-chloropropyl trimethyl silicate (CID 87069699) is 3-chloropropyl trimethyl silicate.
What is the SMILES notation for 3-chloropropyl trimethyl silicate?
The canonical SMILES for 3-chloropropyl trimethyl silicate is CO[Si](OC)(OC)OCCCCl.
What is the InChIKey of 3-chloropropyl trimethyl silicate?
The InChIKey is OHHMVLNIIRKLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15ClO4Si/c1-8-12(9-2,10-3)11-6-4-5-7/h4-6H2,1-3H3.
What are the key properties of 3-chloropropyl trimethyl silicate?
3-chloropropyl trimethyl silicate has a molecular weight of 214.72 g/mol, XLogP of 1.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl trimethyl silicate is sourced from PubChem (CID 87069699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).