2,3-diformyloxypropyl acetate

C7H10O6 — CID 14344247

IUPAC2,3-diformyloxypropyl acetate
SMILESCC(=O)OCC(COC=O)OC=O
InChIInChI=1S/C7H10O6/c1-6(10)12-3-7(13-5-9)2-11-4-8/h4-5,7H,2-3H2,1H3
InChIKeyPNUXFRAVKFMWSQ-UHFFFAOYSA-N
MW190.15 g/mol
LogP-0.74
Rot. Bonds7

About 2,3-diformyloxypropyl acetate

2,3-diformyloxypropyl acetate (PubChem CID 14344247) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2,3-diformyloxypropyl acetate.

Molecular Properties

Compound Name2,3-diformyloxypropyl acetate
PubChem CID14344247
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name2,3-diformyloxypropyl acetate
SMILESCC(=O)OCC(COC=O)OC=O
InChIInChI=1S/C7H10O6/c1-6(10)12-3-7(13-5-9)2-11-4-8/h4-5,7H,2-3H2,1H3
InChIKeyPNUXFRAVKFMWSQ-UHFFFAOYSA-N
XLogP-0.74
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3-acetyloxy-2-formyloxypropyl) acetate
CID 23568328
[3-[[3-[2,3-diformyloxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] formate
CID 74409370
[(2S,5S)-2,5,6-triacetyloxyhexyl] acetate
CID 91758706
azane;2,3-diacetyloxypropyl acetate;hydrochloride
CID 173356168
[(2R,3S,4S)-3,4-diacetyloxy-5-chloro-2-formyloxy-5-iodopentyl] acetate
CID 101139602
[2-formyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphanyl]oxypropyl] formate;methanol;propane
CID 178164252
sodium 2,3-diformyloxypropyl methyl phosphate
CID 157232939
[(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate
CID 89271189
[(Z,2R,3S)-3-acetyloxy-5-bromo-2-formyloxypent-4-enyl] acetate
CID 102391789
2-methylbutyl acetate
CID 90958828
1,3-diacetyloxypropan-2-yl propanoate
CID 90139803
5-formyloxypentyl acetate
CID 87520008

Frequently Asked Questions

What is the IUPAC name of 2,3-diformyloxypropyl acetate?
The IUPAC name of 2,3-diformyloxypropyl acetate (CID 14344247) is 2,3-diformyloxypropyl acetate.
What is the SMILES notation for 2,3-diformyloxypropyl acetate?
The canonical SMILES for 2,3-diformyloxypropyl acetate is CC(=O)OCC(COC=O)OC=O.
What is the InChIKey of 2,3-diformyloxypropyl acetate?
The InChIKey is PNUXFRAVKFMWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O6/c1-6(10)12-3-7(13-5-9)2-11-4-8/h4-5,7H,2-3H2,1H3.
What are the key properties of 2,3-diformyloxypropyl acetate?
2,3-diformyloxypropyl acetate has a molecular weight of 190.15 g/mol, XLogP of -0.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diformyloxypropyl acetate is sourced from PubChem (CID 14344247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).