formyloxymethyl acetate

C4H6O4 — CID 14816416

IUPACformyloxymethyl acetate
SMILESCC(=O)OCOC=O
InChIInChI=1S/C4H6O4/c1-4(6)8-3-7-2-5/h2H,3H2,1H3
InChIKeyKDXNXUPUHDZYGW-UHFFFAOYSA-N
MW118.09 g/mol
LogP-0.32
Rot. Bonds3

About formyloxymethyl acetate

formyloxymethyl acetate (PubChem CID 14816416) has the molecular formula C4H6O4 and a molecular weight of 118.09 g/mol. Its IUPAC name is formyloxymethyl acetate.

Molecular Properties

Compound Nameformyloxymethyl acetate
PubChem CID14816416
Molecular FormulaC4H6O4
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Nameformyloxymethyl acetate
SMILESCC(=O)OCOC=O
InChIInChI=1S/C4H6O4/c1-4(6)8-3-7-2-5/h2H,3H2,1H3
InChIKeyKDXNXUPUHDZYGW-UHFFFAOYSA-N
XLogP-0.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
[(Chlorocarbonyl)oxy]methyl acetate
CID 14800978
Methanediol dipropanoate
CID 10313246
Triacetoxymethane
CID 10241612
Acetoxy ketone
CID 13469549
4,4-Dimethyl-3,5-dioxahexane-2,6-dione
CID 14816424
Ethoxycarbonyl formate
CID 20063912
Epoxy acetoxy ketone
CID 129808675
[Acetyloxy(iodo)methyl] acetate
CID 134892476

Frequently Asked Questions

What is the IUPAC name of formyloxymethyl acetate?
The IUPAC name of formyloxymethyl acetate (CID 14816416) is formyloxymethyl acetate.
What is the SMILES notation for formyloxymethyl acetate?
The canonical SMILES for formyloxymethyl acetate is CC(=O)OCOC=O.
What is the InChIKey of formyloxymethyl acetate?
The InChIKey is KDXNXUPUHDZYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4/c1-4(6)8-3-7-2-5/h2H,3H2,1H3.
What are the key properties of formyloxymethyl acetate?
formyloxymethyl acetate has a molecular weight of 118.09 g/mol, XLogP of -0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formyloxymethyl acetate is sourced from PubChem (CID 14816416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).