[chloromethyl(dimethyl)silyl] butanoate

C7H15ClO2Si — CID 554702

IUPAC[chloromethyl(dimethyl)silyl] butanoate
SMILESCCCC(=O)O[Si](C)(C)CCl
InChIInChI=1S/C7H15ClO2Si/c1-4-5-7(9)10-11(2,3)6-8/h4-6H2,1-3H3
InChIKeyGHFMVAKTHDHKIE-UHFFFAOYSA-N
MW194.73 g/mol
LogP2.31
Rot. Bonds4

About [chloromethyl(dimethyl)silyl] butanoate

[chloromethyl(dimethyl)silyl] butanoate (PubChem CID 554702) has the molecular formula C7H15ClO2Si and a molecular weight of 194.73 g/mol. Its IUPAC name is [chloromethyl(dimethyl)silyl] butanoate.

Molecular Properties

Compound Name[chloromethyl(dimethyl)silyl] butanoate
PubChem CID554702
Molecular FormulaC7H15ClO2Si
Molecular Weight194.73 g/mol
Exact Mass194.05
IUPAC Name[chloromethyl(dimethyl)silyl] butanoate
SMILESCCCC(=O)O[Si](C)(C)CCl
InChIInChI=1S/C7H15ClO2Si/c1-4-5-7(9)10-11(2,3)6-8/h4-6H2,1-3H3
InChIKeyGHFMVAKTHDHKIE-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.73
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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(dimethyl)silyl] butanoate?
The IUPAC name of [chloromethyl(dimethyl)silyl] butanoate (CID 554702) is [chloromethyl(dimethyl)silyl] butanoate.
What is the SMILES notation for [chloromethyl(dimethyl)silyl] butanoate?
The canonical SMILES for [chloromethyl(dimethyl)silyl] butanoate is CCCC(=O)O[Si](C)(C)CCl.
What is the InChIKey of [chloromethyl(dimethyl)silyl] butanoate?
The InChIKey is GHFMVAKTHDHKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO2Si/c1-4-5-7(9)10-11(2,3)6-8/h4-6H2,1-3H3.
What are the key properties of [chloromethyl(dimethyl)silyl] butanoate?
[chloromethyl(dimethyl)silyl] butanoate has a molecular weight of 194.73 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloromethyl(dimethyl)silyl] butanoate is sourced from PubChem (CID 554702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).