[2,5-bis(ethenyl)-4-hydroxyoxolan-3-yl] 2-methylprop-2-enoate

C12H16O4 — CID 54542169

IUPAC[2,5-bis(ethenyl)-4-hydroxyoxolan-3-yl] 2-methylprop-2-enoate
SMILESC=CC1OC(C=C)C(OC(=O)C(=C)C)C1O
InChIInChI=1S/C12H16O4/c1-5-8-10(13)11(9(6-2)15-8)16-12(14)7(3)4/h5-6,8-11,13H,1-3H2,4H3
InChIKeyZDZLXFDKWXYZKR-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.97
Rot. Bonds4

About [2,5-bis(ethenyl)-4-hydroxyoxolan-3-yl] 2-methylprop-2-enoate

[2,5-bis(ethenyl)-4-hydroxyoxolan-3-yl] 2-methylprop-2-enoate (PubChem CID 54542169) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is [2,5-bis(ethenyl)-4-hydroxyoxolan-3-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2,5-bis(ethenyl)-4-hydroxyoxolan-3-yl] 2-methylprop-2-enoate
PubChem CID54542169
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name[2,5-bis(ethenyl)-4-hydroxyoxolan-3-yl] 2-methylprop-2-enoate
SMILESC=CC1OC(C=C)C(OC(=O)C(=C)C)C1O
InChIInChI=1S/C12H16O4/c1-5-8-10(13)11(9(6-2)15-8)16-12(14)7(3)4/h5-6,8-11,13H,1-3H2,4H3
InChIKeyZDZLXFDKWXYZKR-UHFFFAOYSA-N
XLogP0.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,5-bis(ethenyl)-4-hydroxyoxolan-3-yl] 2-methylprop-2-enoate?
The IUPAC name of [2,5-bis(ethenyl)-4-hydroxyoxolan-3-yl] 2-methylprop-2-enoate (CID 54542169) is [2,5-bis(ethenyl)-4-hydroxyoxolan-3-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [2,5-bis(ethenyl)-4-hydroxyoxolan-3-yl] 2-methylprop-2-enoate?
The canonical SMILES for [2,5-bis(ethenyl)-4-hydroxyoxolan-3-yl] 2-methylprop-2-enoate is C=CC1OC(C=C)C(OC(=O)C(=C)C)C1O.
What is the InChIKey of [2,5-bis(ethenyl)-4-hydroxyoxolan-3-yl] 2-methylprop-2-enoate?
The InChIKey is ZDZLXFDKWXYZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-5-8-10(13)11(9(6-2)15-8)16-12(14)7(3)4/h5-6,8-11,13H,1-3H2,4H3.
What are the key properties of [2,5-bis(ethenyl)-4-hydroxyoxolan-3-yl] 2-methylprop-2-enoate?
[2,5-bis(ethenyl)-4-hydroxyoxolan-3-yl] 2-methylprop-2-enoate has a molecular weight of 224.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis(ethenyl)-4-hydroxyoxolan-3-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 54542169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).