2-chloroethylperoxy(trihydroxy)silane

C2H7ClO5Si — CID 174502648

IUPAC2-chloroethylperoxy(trihydroxy)silane
SMILESO[Si](O)(O)OOCCCl
InChIInChI=1S/C2H7ClO5Si/c3-1-2-7-8-9(4,5)6/h4-6H,1-2H2
InChIKeyDCJKVBXVEUZITA-UHFFFAOYSA-N
MW174.61 g/mol
LogP-1.41
Rot. Bonds4

About 2-chloroethylperoxy(trihydroxy)silane

2-chloroethylperoxy(trihydroxy)silane (PubChem CID 174502648) has the molecular formula C2H7ClO5Si and a molecular weight of 174.61 g/mol. Its IUPAC name is 2-chloroethylperoxy(trihydroxy)silane.

Molecular Properties

Compound Name2-chloroethylperoxy(trihydroxy)silane
PubChem CID174502648
Molecular FormulaC2H7ClO5Si
Molecular Weight174.61 g/mol
Exact Mass173.98
IUPAC Name2-chloroethylperoxy(trihydroxy)silane
SMILESO[Si](O)(O)OOCCCl
InChIInChI=1S/C2H7ClO5Si/c3-1-2-7-8-9(4,5)6/h4-6H,1-2H2
InChIKeyDCJKVBXVEUZITA-UHFFFAOYSA-N
XLogP-1.41
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.61
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethylperoxy(trihydroxy)silane?
The IUPAC name of 2-chloroethylperoxy(trihydroxy)silane (CID 174502648) is 2-chloroethylperoxy(trihydroxy)silane.
What is the SMILES notation for 2-chloroethylperoxy(trihydroxy)silane?
The canonical SMILES for 2-chloroethylperoxy(trihydroxy)silane is O[Si](O)(O)OOCCCl.
What is the InChIKey of 2-chloroethylperoxy(trihydroxy)silane?
The InChIKey is DCJKVBXVEUZITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7ClO5Si/c3-1-2-7-8-9(4,5)6/h4-6H,1-2H2.
What are the key properties of 2-chloroethylperoxy(trihydroxy)silane?
2-chloroethylperoxy(trihydroxy)silane has a molecular weight of 174.61 g/mol, XLogP of -1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethylperoxy(trihydroxy)silane is sourced from PubChem (CID 174502648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).