3-chloropropoxyperoxysilane

C3H9ClO3Si — CID 154174903

IUPAC3-chloropropoxyperoxysilane
SMILES[SiH3]OOOCCCCl
InChIInChI=1S/C3H9ClO3Si/c4-2-1-3-5-6-7-8/h1-3H2,8H3
InChIKeyICRYQIULEQOXIA-UHFFFAOYSA-N
MW156.64 g/mol
LogP-0.22
Rot. Bonds5

About 3-chloropropoxyperoxysilane

3-chloropropoxyperoxysilane (PubChem CID 154174903) has the molecular formula C3H9ClO3Si and a molecular weight of 156.64 g/mol. Its IUPAC name is 3-chloropropoxyperoxysilane.

Molecular Properties

Compound Name3-chloropropoxyperoxysilane
PubChem CID154174903
Molecular FormulaC3H9ClO3Si
Molecular Weight156.64 g/mol
Exact Mass156.00
IUPAC Name3-chloropropoxyperoxysilane
SMILES[SiH3]OOOCCCCl
InChIInChI=1S/C3H9ClO3Si/c4-2-1-3-5-6-7-8/h1-3H2,8H3
InChIKeyICRYQIULEQOXIA-UHFFFAOYSA-N
XLogP-0.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.64
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 3-chloropropoxyperoxysilane 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

3-Chloropropoxysilane
CID 123181828
1-Chloropropoxysilane
CID 123834424
3-Chloropropoxy(propoxy)silane
CID 154510497
1,3-Dichloropropoxysilane
CID 174690802
3-Chloropropoxysilane;silane
CID 174934483

Frequently Asked Questions

What is the IUPAC name of 3-chloropropoxyperoxysilane?
The IUPAC name of 3-chloropropoxyperoxysilane (CID 154174903) is 3-chloropropoxyperoxysilane.
What is the SMILES notation for 3-chloropropoxyperoxysilane?
The canonical SMILES for 3-chloropropoxyperoxysilane is [SiH3]OOOCCCCl.
What is the InChIKey of 3-chloropropoxyperoxysilane?
The InChIKey is ICRYQIULEQOXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9ClO3Si/c4-2-1-3-5-6-7-8/h1-3H2,8H3.
What are the key properties of 3-chloropropoxyperoxysilane?
3-chloropropoxyperoxysilane has a molecular weight of 156.64 g/mol, XLogP of -0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropoxyperoxysilane is sourced from PubChem (CID 154174903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).