chloromethoxycarbonyloxymethyl acetate

C5H7ClO5 — CID 54336470

IUPACchloromethoxycarbonyloxymethyl acetate
SMILESCC(=O)OCOC(=O)OCCl
InChIInChI=1S/C5H7ClO5/c1-4(7)10-3-11-5(8)9-2-6/h2-3H2,1H3
InChIKeyTVVHMONWRUFREI-UHFFFAOYSA-N
MW182.56 g/mol
LogP0.86
Rot. Bonds3

About chloromethoxycarbonyloxymethyl acetate

chloromethoxycarbonyloxymethyl acetate (PubChem CID 54336470) has the molecular formula C5H7ClO5 and a molecular weight of 182.56 g/mol. Its IUPAC name is chloromethoxycarbonyloxymethyl acetate.

Molecular Properties

Compound Namechloromethoxycarbonyloxymethyl acetate
PubChem CID54336470
Molecular FormulaC5H7ClO5
Molecular Weight182.56 g/mol
Exact Mass182.00
IUPAC Namechloromethoxycarbonyloxymethyl acetate
SMILESCC(=O)OCOC(=O)OCCl
InChIInChI=1S/C5H7ClO5/c1-4(7)10-3-11-5(8)9-2-6/h2-3H2,1H3
InChIKeyTVVHMONWRUFREI-UHFFFAOYSA-N
XLogP0.86
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.56
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 174459723
acetyloxymethyl acetate;azane
CID 172795061
acetic acid;acetyloxymethyl acetate
CID 175421869
bis(acetyloxymethyl) propanedioate
CID 59124845
chloromethyl propyl carbonate
CID 22595330
chloromethyl 2-(diethylamino)ethyl carbonate
CID 54133141
3-chloropropanoyloxymethoxycarbonyloxymethyl 3-chloropropanoate
CID 57063468
cyclobutyloxycarbonyloxymethyl acetate
CID 70141824
nonadecakis(dichloromethane);ethyl acetate
CID 172996515
(dichloromethane);ethyl acetate
CID 173005314
acetyloxymethoxymethanedithioic acid
CID 175203705
acetyloxymethyl 4-oxopentanoate
CID 88539026

Frequently Asked Questions

What is the IUPAC name of chloromethoxycarbonyloxymethyl acetate?
The IUPAC name of chloromethoxycarbonyloxymethyl acetate (CID 54336470) is chloromethoxycarbonyloxymethyl acetate.
What is the SMILES notation for chloromethoxycarbonyloxymethyl acetate?
The canonical SMILES for chloromethoxycarbonyloxymethyl acetate is CC(=O)OCOC(=O)OCCl.
What is the InChIKey of chloromethoxycarbonyloxymethyl acetate?
The InChIKey is TVVHMONWRUFREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO5/c1-4(7)10-3-11-5(8)9-2-6/h2-3H2,1H3.
What are the key properties of chloromethoxycarbonyloxymethyl acetate?
chloromethoxycarbonyloxymethyl acetate has a molecular weight of 182.56 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethoxycarbonyloxymethyl acetate is sourced from PubChem (CID 54336470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).