[(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate

C11H14O4 — CID 10560374

IUPAC[(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate
SMILESC=C[C@H]1O[C@@H](/C=C/COC(C)=O)CC1=O
InChIInChI=1S/C11H14O4/c1-3-11-10(13)7-9(15-11)5-4-6-14-8(2)12/h3-5,9,11H,1,6-7H2,2H3/b5-4+/t9-,11+/m0/s1
InChIKeyISCPCWFLOKTHGU-ALWPCLGOSA-N
MW210.23 g/mol
LogP1.02
Rot. Bonds4

About [(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate

[(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate (PubChem CID 10560374) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is [(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate.

Molecular Properties

Compound Name[(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate
PubChem CID10560374
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name[(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate
SMILESC=C[C@H]1O[C@@H](/C=C/COC(C)=O)CC1=O
InChIInChI=1S/C11H14O4/c1-3-11-10(13)7-9(15-11)5-4-6-14-8(2)12/h3-5,9,11H,1,6-7H2,2H3/b5-4+/t9-,11+/m0/s1
InChIKeyISCPCWFLOKTHGU-ALWPCLGOSA-N
XLogP1.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-ethenyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-4-yl)prop-2-enyl acetate
CID 123970791
[(E)-3-[(2S,3S,5S)-3-acetyloxy-5-ethenyloxolan-2-yl]prop-2-enyl] acetate
CID 10706100
[(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate
CID 91982415
[(E)-3-[3-[3-(hydroxymethyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate
CID 102196467
butan-2-one;prop-2-enyl acetate
CID 118347758
[4,6-bis(ethenyl)-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl]methyl acetate
CID 58350463
4-hydroxybut-2-enyl acetate
CID 54073989
4-ethoxypenta-2,4-dienyl acetate
CID 123296017
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-prop-2-enoxyoxan-2-yl]methyl acetate
CID 7077020
[(2E,4E)-5-cyclohexylpenta-2,4-dienyl] acetate
CID 15327120
prop-2-enyl 3-oxooxetane-2-carboxylate
CID 175402540
1,1-dimethoxyethane;prop-2-enyl acetate
CID 87678916

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate?
The IUPAC name of [(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate (CID 10560374) is [(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate.
What is the SMILES notation for [(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate?
The canonical SMILES for [(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate is C=C[C@H]1O[C@@H](/C=C/COC(C)=O)CC1=O.
What is the InChIKey of [(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate?
The InChIKey is ISCPCWFLOKTHGU-ALWPCLGOSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-11-10(13)7-9(15-11)5-4-6-14-8(2)12/h3-5,9,11H,1,6-7H2,2H3/b5-4+/t9-,11+/m0/s1.
What are the key properties of [(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate?
[(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate has a molecular weight of 210.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(2R,5R)-5-ethenyl-4-oxooxolan-2-yl]prop-2-enyl] acetate is sourced from PubChem (CID 10560374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).