[(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate

C10H14O5 — CID 102196467

IUPAC[(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/C1OC1C1OC1CO
InChIInChI=1S/C10H14O5/c1-6(12)13-4-2-3-7-9(14-7)10-8(5-11)15-10/h2-3,7-11H,4-5H2,1H3/b3-2+
InChIKeyIGOMLLHDTGFRIM-NSCUHMNNSA-N
MW214.22 g/mol
LogP-0.37
Rot. Bonds5

About [(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate

[(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate (PubChem CID 102196467) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is [(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate
PubChem CID102196467
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name[(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate
SMILESCC(=O)OC/C=C/C1OC1C1OC1CO
InChIInChI=1S/C10H14O5/c1-6(12)13-4-2-3-7-9(14-7)10-8(5-11)15-10/h2-3,7-11H,4-5H2,1H3/b3-2+
InChIKeyIGOMLLHDTGFRIM-NSCUHMNNSA-N
XLogP-0.37
TPSA71.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S)-3-[(2S,3R)-3-[(E)-2-trimethylsilylethenyl]oxiran-2-yl]oxiran-2-yl]methanol
CID 71723523
4-hydroxybut-2-enyl acetate
CID 54073989
[(E)-3-[(2S,3S,5S)-3-acetyloxy-5-ethenyloxolan-2-yl]prop-2-enyl] acetate
CID 10706100
[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate
CID 11062516
[(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate
CID 10560374
[(2S,4R,5S)-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methyl acetate
CID 11095401
[(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate
CID 91982415
[(2S,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]oxiran-2-yl]methanol
CID 53391687
[(Z,4S)-4,5-dihydroxypent-2-enyl] acetate
CID 11040986
[(Z)-4-amino-4-oxobut-2-enyl] acetate;ethane
CID 169106172
[(E)-13-hydroxytridec-2-enyl] acetate
CID 11715833
[(Z)-4-ethoxycarbonyloxybut-2-enyl] acetate
CID 11127322

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate?
The IUPAC name of [(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate (CID 102196467) is [(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate?
The canonical SMILES for [(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate is CC(=O)OC/C=C/C1OC1C1OC1CO.
What is the InChIKey of [(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate?
The InChIKey is IGOMLLHDTGFRIM-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H14O5/c1-6(12)13-4-2-3-7-9(14-7)10-8(5-11)15-10/h2-3,7-11H,4-5H2,1H3/b3-2+.
What are the key properties of [(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate?
[(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate has a molecular weight of 214.22 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate is sourced from PubChem (CID 102196467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).