chloromethyl oxiran-2-yl carbonate

C4H5ClO4 — CID 174658278

IUPACchloromethyl oxiran-2-yl carbonate
SMILESO=C(OCCl)OC1CO1
InChIInChI=1S/C4H5ClO4/c5-2-8-4(6)9-3-1-7-3/h3H,1-2H2
InChIKeyCSLNOGRGJSFAIZ-UHFFFAOYSA-N
MW152.53 g/mol
LogP0.69
Rot. Bonds2

About chloromethyl oxiran-2-yl carbonate

chloromethyl oxiran-2-yl carbonate (PubChem CID 174658278) has the molecular formula C4H5ClO4 and a molecular weight of 152.53 g/mol. Its IUPAC name is chloromethyl oxiran-2-yl carbonate.

Molecular Properties

Compound Namechloromethyl oxiran-2-yl carbonate
PubChem CID174658278
Molecular FormulaC4H5ClO4
Molecular Weight152.53 g/mol
Exact Mass151.99
IUPAC Namechloromethyl oxiran-2-yl carbonate
SMILESO=C(OCCl)OC1CO1
InChIInChI=1S/C4H5ClO4/c5-2-8-4(6)9-3-1-7-3/h3H,1-2H2
InChIKeyCSLNOGRGJSFAIZ-UHFFFAOYSA-N
XLogP0.69
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.53
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethyl oxiran-2-yl carbonate?
The IUPAC name of chloromethyl oxiran-2-yl carbonate (CID 174658278) is chloromethyl oxiran-2-yl carbonate.
What is the SMILES notation for chloromethyl oxiran-2-yl carbonate?
The canonical SMILES for chloromethyl oxiran-2-yl carbonate is O=C(OCCl)OC1CO1.
What is the InChIKey of chloromethyl oxiran-2-yl carbonate?
The InChIKey is CSLNOGRGJSFAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClO4/c5-2-8-4(6)9-3-1-7-3/h3H,1-2H2.
What are the key properties of chloromethyl oxiran-2-yl carbonate?
chloromethyl oxiran-2-yl carbonate has a molecular weight of 152.53 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl oxiran-2-yl carbonate is sourced from PubChem (CID 174658278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).