carbonochloridoyloxymethyl acetate

C4H5ClO4 — CID 14800978

IUPACcarbonochloridoyloxymethyl acetate
SMILESCC(=O)OCOC(=O)Cl
InChIInChI=1S/C4H5ClO4/c1-3(6)8-2-9-4(5)7/h2H2,1H3
InChIKeyMULZXZRAWSJCCF-UHFFFAOYSA-N
MW152.53 g/mol
LogP0.88
Rot. Bonds2

About carbonochloridoyloxymethyl acetate

carbonochloridoyloxymethyl acetate (PubChem CID 14800978) has the molecular formula C4H5ClO4 and a molecular weight of 152.53 g/mol. Its IUPAC name is carbonochloridoyloxymethyl acetate.

Molecular Properties

Compound Namecarbonochloridoyloxymethyl acetate
PubChem CID14800978
Molecular FormulaC4H5ClO4
Molecular Weight152.53 g/mol
Exact Mass151.99
IUPAC Namecarbonochloridoyloxymethyl acetate
SMILESCC(=O)OCOC(=O)Cl
InChIInChI=1S/C4H5ClO4/c1-3(6)8-2-9-4(5)7/h2H2,1H3
InChIKeyMULZXZRAWSJCCF-UHFFFAOYSA-N
XLogP0.88
TPSA52.60 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 ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbonochloridoyloxymethyl acetate?
The IUPAC name of carbonochloridoyloxymethyl acetate (CID 14800978) is carbonochloridoyloxymethyl acetate.
What is the SMILES notation for carbonochloridoyloxymethyl acetate?
The canonical SMILES for carbonochloridoyloxymethyl acetate is CC(=O)OCOC(=O)Cl.
What is the InChIKey of carbonochloridoyloxymethyl acetate?
The InChIKey is MULZXZRAWSJCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClO4/c1-3(6)8-2-9-4(5)7/h2H2,1H3.
What are the key properties of carbonochloridoyloxymethyl acetate?
carbonochloridoyloxymethyl acetate has a molecular weight of 152.53 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridoyloxymethyl acetate is sourced from PubChem (CID 14800978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).