[2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate

C12H12O7 — CID 140812243

IUPAC[2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate
SMILESC=CC(=O)OC1(C)OC1(OC(=O)C=C)OC(=O)C=C
InChIInChI=1S/C12H12O7/c1-5-8(13)16-11(4)12(19-11,17-9(14)6-2)18-10(15)7-3/h5-7H,1-3H2,4H3
InChIKeyGHSHPYANOWNBGD-UHFFFAOYSA-N
MW268.22 g/mol
LogP0.57
Rot. Bonds6

About [2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate

[2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate (PubChem CID 140812243) has the molecular formula C12H12O7 and a molecular weight of 268.22 g/mol. Its IUPAC name is [2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate
PubChem CID140812243
Molecular FormulaC12H12O7
Molecular Weight268.22 g/mol
Exact Mass268.06
IUPAC Name[2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate
SMILESC=CC(=O)OC1(C)OC1(OC(=O)C=C)OC(=O)C=C
InChIInChI=1S/C12H12O7/c1-5-8(13)16-11(4)12(19-11,17-9(14)6-2)18-10(15)7-3/h5-7H,1-3H2,4H3
InChIKeyGHSHPYANOWNBGD-UHFFFAOYSA-N
XLogP0.57
TPSA91.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 50.57
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'}

Analyze [2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate with MolForge

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Related Compounds

(1-methyl-3-oxocyclobutyl) prop-2-enoate
CID 154597536
(2-methyl-1,4-dioxan-2-yl) prop-2-enoate
CID 58183630
(2,2,3-trimethyl-5-oxooxolan-3-yl) prop-2-enoate
CID 22650073
(2-methyl-5-oxooxolan-2-yl) prop-2-enoate
CID 67204162
[2,2,4,4-tetrafluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] prop-2-enoate
CID 166810413
methylsiloxane acrylate
CID 54121741
N-methylmethanamine;methyl prop-2-enoate
CID 160519545
(1,1,4-trimethylsilinan-4-yl) prop-2-enoate
CID 18381221
(1,2,2-trimethylcyclooctyl) prop-2-enoate
CID 164546648
(2-methyl-1,4-oxathian-2-yl) prop-2-enoate
CID 58183483
(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) prop-2-enoate
CID 172738718
(1-ethenylcyclopropyl) prop-2-enoate
CID 22991067

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate?
The IUPAC name of [2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate (CID 140812243) is [2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate.
What is the SMILES notation for [2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate?
The canonical SMILES for [2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate is C=CC(=O)OC1(C)OC1(OC(=O)C=C)OC(=O)C=C.
What is the InChIKey of [2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate?
The InChIKey is GHSHPYANOWNBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O7/c1-5-8(13)16-11(4)12(19-11,17-9(14)6-2)18-10(15)7-3/h5-7H,1-3H2,4H3.
What are the key properties of [2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate?
[2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate has a molecular weight of 268.22 g/mol, XLogP of 0.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3,3-di(prop-2-enoyloxy)oxiran-2-yl] prop-2-enoate is sourced from PubChem (CID 140812243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).