1,2-dichloroethoxy(methyl)silane

C3H8Cl2OSi — CID 123564307

IUPAC1,2-dichloroethoxy(methyl)silane
SMILESC[SiH2]OC(Cl)CCl
InChIInChI=1S/C3H8Cl2OSi/c1-7-6-3(5)2-4/h3H,2,7H2,1H3
InChIKeyPOIPBECRAVPBFB-UHFFFAOYSA-N
MW159.09 g/mol
LogP0.94
Rot. Bonds3

About 1,2-dichloroethoxy(methyl)silane

1,2-dichloroethoxy(methyl)silane (PubChem CID 123564307) has the molecular formula C3H8Cl2OSi and a molecular weight of 159.09 g/mol. Its IUPAC name is 1,2-dichloroethoxy(methyl)silane.

Molecular Properties

Compound Name1,2-dichloroethoxy(methyl)silane
PubChem CID123564307
Molecular FormulaC3H8Cl2OSi
Molecular Weight159.09 g/mol
Exact Mass157.97
IUPAC Name1,2-dichloroethoxy(methyl)silane
SMILESC[SiH2]OC(Cl)CCl
InChIInChI=1S/C3H8Cl2OSi/c1-7-6-3(5)2-4/h3H,2,7H2,1H3
InChIKeyPOIPBECRAVPBFB-UHFFFAOYSA-N
XLogP0.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.09
LogP ≤ 50.94
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'}

Analyze 1,2-dichloroethoxy(methyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tris(2-chloroethoxy)methylsilane
CID 81205
Bis(2-chloroethoxy)methylsilane
CID 6335367
Bis(2-chloroethoxy)-methylsilane
CID 87472
(2-Chloroethoxy)dimethylsilane
CID 71353264
1,2-Dichloroethoxy(trimethyl)silane
CID 12432335
2-Chloroethoxy-(chloromethyl)-dimethylsilane
CID 87577029
3-Chlorobutyl(1,2-dichloroethoxy)silane
CID 123301882
Bis(2-chloroethoxy)-ethylsilane
CID 123393354
1,2-Dichloroethoxymethylsilane
CID 123682182
2-Chloroethyl(1,2-dichloroethoxy)silane
CID 124003168
2-Chloroethoxy-(chloromethyl)-dimethoxysilane
CID 139664134
2-Chloroethoxy(methyl)silane
CID 148919149

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloroethoxy(methyl)silane?
The IUPAC name of 1,2-dichloroethoxy(methyl)silane (CID 123564307) is 1,2-dichloroethoxy(methyl)silane.
What is the SMILES notation for 1,2-dichloroethoxy(methyl)silane?
The canonical SMILES for 1,2-dichloroethoxy(methyl)silane is C[SiH2]OC(Cl)CCl.
What is the InChIKey of 1,2-dichloroethoxy(methyl)silane?
The InChIKey is POIPBECRAVPBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8Cl2OSi/c1-7-6-3(5)2-4/h3H,2,7H2,1H3.
What are the key properties of 1,2-dichloroethoxy(methyl)silane?
1,2-dichloroethoxy(methyl)silane has a molecular weight of 159.09 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroethoxy(methyl)silane is sourced from PubChem (CID 123564307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).