2-chloroethoxy(trihydroxy)silane

C2H7ClO4Si — CID 141376257

IUPAC2-chloroethoxy(trihydroxy)silane
SMILESO[Si](O)(O)OCCCl
InChIInChI=1S/C2H7ClO4Si/c3-1-2-7-8(4,5)6/h4-6H,1-2H2
InChIKeyNJHMXNLHQBCHNJ-UHFFFAOYSA-N
MW158.61 g/mol
LogP-1.35
Rot. Bonds3

About 2-chloroethoxy(trihydroxy)silane

2-chloroethoxy(trihydroxy)silane (PubChem CID 141376257) has the molecular formula C2H7ClO4Si and a molecular weight of 158.61 g/mol. Its IUPAC name is 2-chloroethoxy(trihydroxy)silane.

Molecular Properties

Compound Name2-chloroethoxy(trihydroxy)silane
PubChem CID141376257
Molecular FormulaC2H7ClO4Si
Molecular Weight158.61 g/mol
Exact Mass157.98
IUPAC Name2-chloroethoxy(trihydroxy)silane
SMILESO[Si](O)(O)OCCCl
InChIInChI=1S/C2H7ClO4Si/c3-1-2-7-8(4,5)6/h4-6H,1-2H2
InChIKeyNJHMXNLHQBCHNJ-UHFFFAOYSA-N
XLogP-1.35
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.61
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-chloroethoxy(trihydroxy)silane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloroethoxy(trihydroxy)silane?
The IUPAC name of 2-chloroethoxy(trihydroxy)silane (CID 141376257) is 2-chloroethoxy(trihydroxy)silane.
What is the SMILES notation for 2-chloroethoxy(trihydroxy)silane?
The canonical SMILES for 2-chloroethoxy(trihydroxy)silane is O[Si](O)(O)OCCCl.
What is the InChIKey of 2-chloroethoxy(trihydroxy)silane?
The InChIKey is NJHMXNLHQBCHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7ClO4Si/c3-1-2-7-8(4,5)6/h4-6H,1-2H2.
What are the key properties of 2-chloroethoxy(trihydroxy)silane?
2-chloroethoxy(trihydroxy)silane has a molecular weight of 158.61 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethoxy(trihydroxy)silane is sourced from PubChem (CID 141376257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).