2-(chloromethyl)oxirane;dihydroxy(oxo)silane

C3H7ClO4Si — CID 88521113

IUPAC2-(chloromethyl)oxirane;dihydroxy(oxo)silane
SMILESClCC1CO1.O=[Si](O)O
InChIInChI=1S/C3H5ClO.H2O3Si/c4-1-3-2-5-3;1-4(2)3/h3H,1-2H2;1-2H
InChIKeyDGUHITNXADVOEW-UHFFFAOYSA-N
MW170.62 g/mol
LogP-0.99
Rot. Bonds1

About 2-(chloromethyl)oxirane;dihydroxy(oxo)silane

2-(chloromethyl)oxirane;dihydroxy(oxo)silane (PubChem CID 88521113) has the molecular formula C3H7ClO4Si and a molecular weight of 170.62 g/mol. Its IUPAC name is 2-(chloromethyl)oxirane;dihydroxy(oxo)silane.

Molecular Properties

Compound Name2-(chloromethyl)oxirane;dihydroxy(oxo)silane
PubChem CID88521113
Molecular FormulaC3H7ClO4Si
Molecular Weight170.62 g/mol
Exact Mass169.98
IUPAC Name2-(chloromethyl)oxirane;dihydroxy(oxo)silane
SMILESClCC1CO1.O=[Si](O)O
InChIInChI=1S/C3H5ClO.H2O3Si/c4-1-3-2-5-3;1-4(2)3/h3H,1-2H2;1-2H
InChIKeyDGUHITNXADVOEW-UHFFFAOYSA-N
XLogP-0.99
TPSA70.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.62
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 166746758
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CID 15606719
2-(chloromethyl)oxirane;2-(2-hydroxyethylamino)ethanol
CID 6454463
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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)oxirane;dihydroxy(oxo)silane?
The IUPAC name of 2-(chloromethyl)oxirane;dihydroxy(oxo)silane (CID 88521113) is 2-(chloromethyl)oxirane;dihydroxy(oxo)silane.
What is the SMILES notation for 2-(chloromethyl)oxirane;dihydroxy(oxo)silane?
The canonical SMILES for 2-(chloromethyl)oxirane;dihydroxy(oxo)silane is ClCC1CO1.O=[Si](O)O.
What is the InChIKey of 2-(chloromethyl)oxirane;dihydroxy(oxo)silane?
The InChIKey is DGUHITNXADVOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO.H2O3Si/c4-1-3-2-5-3;1-4(2)3/h3H,1-2H2;1-2H.
What are the key properties of 2-(chloromethyl)oxirane;dihydroxy(oxo)silane?
2-(chloromethyl)oxirane;dihydroxy(oxo)silane has a molecular weight of 170.62 g/mol, XLogP of -0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)oxirane;dihydroxy(oxo)silane is sourced from PubChem (CID 88521113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).