1,2-dichloroethoxysilane

C2H6Cl2OSi — CID 123383946

IUPAC1,2-dichloroethoxysilane
SMILES[SiH3]OC(Cl)CCl
InChIInChI=1S/C2H6Cl2OSi/c3-1-2(4)5-6/h2H,1H2,6H3
InChIKeyCNRKDPVHHCRMOV-UHFFFAOYSA-N
MW145.06 g/mol
LogP0.09
Rot. Bonds2

About 1,2-dichloroethoxysilane

1,2-dichloroethoxysilane (PubChem CID 123383946) has the molecular formula C2H6Cl2OSi and a molecular weight of 145.06 g/mol. Its IUPAC name is 1,2-dichloroethoxysilane.

Molecular Properties

Compound Name1,2-dichloroethoxysilane
PubChem CID123383946
Molecular FormulaC2H6Cl2OSi
Molecular Weight145.06 g/mol
Exact Mass143.96
IUPAC Name1,2-dichloroethoxysilane
SMILES[SiH3]OC(Cl)CCl
InChIInChI=1S/C2H6Cl2OSi/c3-1-2(4)5-6/h2H,1H2,6H3
InChIKeyCNRKDPVHHCRMOV-UHFFFAOYSA-N
XLogP0.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.06
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dichloroethoxysilane?
The IUPAC name of 1,2-dichloroethoxysilane (CID 123383946) is 1,2-dichloroethoxysilane.
What is the SMILES notation for 1,2-dichloroethoxysilane?
The canonical SMILES for 1,2-dichloroethoxysilane is [SiH3]OC(Cl)CCl.
What is the InChIKey of 1,2-dichloroethoxysilane?
The InChIKey is CNRKDPVHHCRMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6Cl2OSi/c3-1-2(4)5-6/h2H,1H2,6H3.
What are the key properties of 1,2-dichloroethoxysilane?
1,2-dichloroethoxysilane has a molecular weight of 145.06 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroethoxysilane is sourced from PubChem (CID 123383946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).