1,2-dichloroethyl 3-trimethylsilylpropanoate

C8H16Cl2O2Si — CID 23262486

IUPAC1,2-dichloroethyl 3-trimethylsilylpropanoate
SMILESC[Si](C)(C)CCC(=O)OC(Cl)CCl
InChIInChI=1S/C8H16Cl2O2Si/c1-13(2,3)5-4-8(11)12-7(10)6-9/h7H,4-6H2,1-3H3
InChIKeyKPKLKFVJMMVPKK-UHFFFAOYSA-N
MW243.21 g/mol
LogP3.06
Rot. Bonds5

About 1,2-dichloroethyl 3-trimethylsilylpropanoate

1,2-dichloroethyl 3-trimethylsilylpropanoate (PubChem CID 23262486) has the molecular formula C8H16Cl2O2Si and a molecular weight of 243.21 g/mol. Its IUPAC name is 1,2-dichloroethyl 3-trimethylsilylpropanoate.

Molecular Properties

Compound Name1,2-dichloroethyl 3-trimethylsilylpropanoate
PubChem CID23262486
Molecular FormulaC8H16Cl2O2Si
Molecular Weight243.21 g/mol
Exact Mass242.03
IUPAC Name1,2-dichloroethyl 3-trimethylsilylpropanoate
SMILESC[Si](C)(C)CCC(=O)OC(Cl)CCl
InChIInChI=1S/C8H16Cl2O2Si/c1-13(2,3)5-4-8(11)12-7(10)6-9/h7H,4-6H2,1-3H3
InChIKeyKPKLKFVJMMVPKK-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 53.06
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 1,2-dichloroethyl 3-trimethylsilylpropanoate?
The IUPAC name of 1,2-dichloroethyl 3-trimethylsilylpropanoate (CID 23262486) is 1,2-dichloroethyl 3-trimethylsilylpropanoate.
What is the SMILES notation for 1,2-dichloroethyl 3-trimethylsilylpropanoate?
The canonical SMILES for 1,2-dichloroethyl 3-trimethylsilylpropanoate is C[Si](C)(C)CCC(=O)OC(Cl)CCl.
What is the InChIKey of 1,2-dichloroethyl 3-trimethylsilylpropanoate?
The InChIKey is KPKLKFVJMMVPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2O2Si/c1-13(2,3)5-4-8(11)12-7(10)6-9/h7H,4-6H2,1-3H3.
What are the key properties of 1,2-dichloroethyl 3-trimethylsilylpropanoate?
1,2-dichloroethyl 3-trimethylsilylpropanoate has a molecular weight of 243.21 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroethyl 3-trimethylsilylpropanoate is sourced from PubChem (CID 23262486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).