diacetyloxymethyl acetate

C7H10O6 — CID 10241612

IUPACdiacetyloxymethyl acetate
SMILESCC(=O)OC(OC(C)=O)OC(C)=O
InChIInChI=1S/C7H10O6/c1-4(8)11-7(12-5(2)9)13-6(3)10/h7H,1-3H3
InChIKeyVWAAXABRJDIYOD-UHFFFAOYSA-N
MW190.15 g/mol
LogP-0.04
Rot. Bonds3

About diacetyloxymethyl acetate

diacetyloxymethyl acetate (PubChem CID 10241612) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is diacetyloxymethyl acetate.

Molecular Properties

Compound Namediacetyloxymethyl acetate
PubChem CID10241612
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Namediacetyloxymethyl acetate
SMILESCC(=O)OC(OC(C)=O)OC(C)=O
InChIInChI=1S/C7H10O6/c1-4(8)11-7(12-5(2)9)13-6(3)10/h7H,1-3H3
InChIKeyVWAAXABRJDIYOD-UHFFFAOYSA-N
XLogP-0.04
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Ethoxyethyl acetate
CID 97895
1,1-Ethanediol, 1,1-diacetate
CID 222536
Methanol, 1,1-diethoxy-, 1-acetate
CID 84166
Methyl diacetate
CID 12345
Methanol, 1-methoxy-, 1-acetate
CID 78087
Methanol, 1,1'-oxybis-, 1,1'-diacetate
CID 77701
2-((Acetyloxy)methoxy)ethyl acetate
CID 100999
[(Chlorocarbonyl)oxy]methyl acetate
CID 14800978
Methanediol dipropanoate
CID 10313246
1-Methoxyethyl acetate
CID 537440
Propane-1,1-diol diacetate
CID 538741
Methoxymethyl propionate
CID 11228781

Frequently Asked Questions

What is the IUPAC name of diacetyloxymethyl acetate?
The IUPAC name of diacetyloxymethyl acetate (CID 10241612) is diacetyloxymethyl acetate.
What is the SMILES notation for diacetyloxymethyl acetate?
The canonical SMILES for diacetyloxymethyl acetate is CC(=O)OC(OC(C)=O)OC(C)=O.
What is the InChIKey of diacetyloxymethyl acetate?
The InChIKey is VWAAXABRJDIYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O6/c1-4(8)11-7(12-5(2)9)13-6(3)10/h7H,1-3H3.
What are the key properties of diacetyloxymethyl acetate?
diacetyloxymethyl acetate has a molecular weight of 190.15 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diacetyloxymethyl acetate is sourced from PubChem (CID 10241612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).