1-chloroethylperoxy(trihydroxy)silane

C2H7ClO5Si — CID 174502649

IUPAC1-chloroethylperoxy(trihydroxy)silane
SMILESCC(Cl)OO[Si](O)(O)O
InChIInChI=1S/C2H7ClO5Si/c1-2(3)7-8-9(4,5)6/h2,4-6H,1H3
InChIKeyNVXPLKRDPSOHDK-UHFFFAOYSA-N
MW174.61 g/mol
LogP-1.07
Rot. Bonds3

About 1-chloroethylperoxy(trihydroxy)silane

1-chloroethylperoxy(trihydroxy)silane (PubChem CID 174502649) has the molecular formula C2H7ClO5Si and a molecular weight of 174.61 g/mol. Its IUPAC name is 1-chloroethylperoxy(trihydroxy)silane.

Molecular Properties

Compound Name1-chloroethylperoxy(trihydroxy)silane
PubChem CID174502649
Molecular FormulaC2H7ClO5Si
Molecular Weight174.61 g/mol
Exact Mass173.98
IUPAC Name1-chloroethylperoxy(trihydroxy)silane
SMILESCC(Cl)OO[Si](O)(O)O
InChIInChI=1S/C2H7ClO5Si/c1-2(3)7-8-9(4,5)6/h2,4-6H,1H3
InChIKeyNVXPLKRDPSOHDK-UHFFFAOYSA-N
XLogP-1.07
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.61
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

alpha-Chloroethyl hydroperoxide
CID 101694865
1-Chloroethoxy-diethoxy-hydroxysilane
CID 140731408
2-Chloroethoxy(trihydroxy)silane
CID 141376257
2-Chloroethylperoxy(trihydroxy)silane
CID 174502648

Frequently Asked Questions

What is the IUPAC name of 1-chloroethylperoxy(trihydroxy)silane?
The IUPAC name of 1-chloroethylperoxy(trihydroxy)silane (CID 174502649) is 1-chloroethylperoxy(trihydroxy)silane.
What is the SMILES notation for 1-chloroethylperoxy(trihydroxy)silane?
The canonical SMILES for 1-chloroethylperoxy(trihydroxy)silane is CC(Cl)OO[Si](O)(O)O.
What is the InChIKey of 1-chloroethylperoxy(trihydroxy)silane?
The InChIKey is NVXPLKRDPSOHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7ClO5Si/c1-2(3)7-8-9(4,5)6/h2,4-6H,1H3.
What are the key properties of 1-chloroethylperoxy(trihydroxy)silane?
1-chloroethylperoxy(trihydroxy)silane has a molecular weight of 174.61 g/mol, XLogP of -1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethylperoxy(trihydroxy)silane is sourced from PubChem (CID 174502649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).