[oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate

C12H12O7 — CID 88741656

IUPAC[oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate
SMILESC=CC(=O)OC(OC(=O)C=C)(OC(=O)C=C)C1CO1
InChIInChI=1S/C12H12O7/c1-4-9(13)17-12(8-7-16-8,18-10(14)5-2)19-11(15)6-3/h4-6,8H,1-3,7H2
InChIKeyFDIBCCIFWDMJGV-UHFFFAOYSA-N
MW268.22 g/mol
LogP0.23
Rot. Bonds7

About [oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate

[oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate (PubChem CID 88741656) has the molecular formula C12H12O7 and a molecular weight of 268.22 g/mol. Its IUPAC name is [oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate.

Molecular Properties

Compound Name[oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate
PubChem CID88741656
Molecular FormulaC12H12O7
Molecular Weight268.22 g/mol
Exact Mass268.06
IUPAC Name[oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate
SMILESC=CC(=O)OC(OC(=O)C=C)(OC(=O)C=C)C1CO1
InChIInChI=1S/C12H12O7/c1-4-9(13)17-12(8-7-16-8,18-10(14)5-2)19-11(15)6-3/h4-6,8H,1-3,7H2
InChIKeyFDIBCCIFWDMJGV-UHFFFAOYSA-N
XLogP0.23
TPSA91.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[1-(oxiran-2-yl)-1-[1-(oxiran-2-yl)-1-prop-2-enoyloxyethoxy]ethyl] prop-2-enoate
CID 141266638
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174535709
[dicyclohexyl(oxolan-2-yl)methyl] prop-2-enoate
CID 58734454
trifluoromethyl prop-2-enoate
CID 10197737
tert-butyl prop-2-enoate
CID 158231977
tert-butyl prop-2-enoate;1,4-dioxane
CID 174977908
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509
tert-butyl prop-2-enoate;cycloicosane
CID 174934602
tert-butyl prop-2-enoate;cyclononadecane
CID 174964635
[(3R,4S,5R)-4,5,6-tri(prop-2-enoyloxy)oxan-3-yl] prop-2-enoate
CID 126578301
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436

Frequently Asked Questions

What is the IUPAC name of [oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate?
The IUPAC name of [oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate (CID 88741656) is [oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate.
What is the SMILES notation for [oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate?
The canonical SMILES for [oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate is C=CC(=O)OC(OC(=O)C=C)(OC(=O)C=C)C1CO1.
What is the InChIKey of [oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate?
The InChIKey is FDIBCCIFWDMJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O7/c1-4-9(13)17-12(8-7-16-8,18-10(14)5-2)19-11(15)6-3/h4-6,8H,1-3,7H2.
What are the key properties of [oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate?
[oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate has a molecular weight of 268.22 g/mol, XLogP of 0.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [oxiran-2-yl-di(prop-2-enoyloxy)methyl] prop-2-enoate is sourced from PubChem (CID 88741656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).