chloromethyl ethenyl carbonate

C4H5ClO3 — CID 19063415

IUPACchloromethyl ethenyl carbonate
SMILESC=COC(=O)OCCl
InChIInChI=1S/C4H5ClO3/c1-2-7-4(6)8-3-5/h2H,1,3H2
InChIKeyZKOFCURZLHKSBQ-UHFFFAOYSA-N
MW136.53 g/mol
LogP1.48
Rot. Bonds2

About chloromethyl ethenyl carbonate

chloromethyl ethenyl carbonate (PubChem CID 19063415) has the molecular formula C4H5ClO3 and a molecular weight of 136.53 g/mol. Its IUPAC name is chloromethyl ethenyl carbonate.

Molecular Properties

Compound Namechloromethyl ethenyl carbonate
PubChem CID19063415
Molecular FormulaC4H5ClO3
Molecular Weight136.53 g/mol
Exact Mass135.99
IUPAC Namechloromethyl ethenyl carbonate
SMILESC=COC(=O)OCCl
InChIInChI=1S/C4H5ClO3/c1-2-7-4(6)8-3-5/h2H,1,3H2
InChIKeyZKOFCURZLHKSBQ-UHFFFAOYSA-N
XLogP1.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.53
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloromethyl ethenyl carbonate?
The IUPAC name of chloromethyl ethenyl carbonate (CID 19063415) is chloromethyl ethenyl carbonate.
What is the SMILES notation for chloromethyl ethenyl carbonate?
The canonical SMILES for chloromethyl ethenyl carbonate is C=COC(=O)OCCl.
What is the InChIKey of chloromethyl ethenyl carbonate?
The InChIKey is ZKOFCURZLHKSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClO3/c1-2-7-4(6)8-3-5/h2H,1,3H2.
What are the key properties of chloromethyl ethenyl carbonate?
chloromethyl ethenyl carbonate has a molecular weight of 136.53 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl ethenyl carbonate is sourced from PubChem (CID 19063415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).