methyl 3,3-bis(ethenyl)oxirane-2-carboxylate

C8H10O3 — CID 22975835

IUPACmethyl 3,3-bis(ethenyl)oxirane-2-carboxylate
SMILESC=CC1(C=C)OC1C(=O)OC
InChIInChI=1S/C8H10O3/c1-4-8(5-2)6(11-8)7(9)10-3/h4-6H,1-2H2,3H3
InChIKeyJJKYASZCPHGMLX-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.67
Rot. Bonds3

About methyl 3,3-bis(ethenyl)oxirane-2-carboxylate

methyl 3,3-bis(ethenyl)oxirane-2-carboxylate (PubChem CID 22975835) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is methyl 3,3-bis(ethenyl)oxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,3-bis(ethenyl)oxirane-2-carboxylate
PubChem CID22975835
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namemethyl 3,3-bis(ethenyl)oxirane-2-carboxylate
SMILESC=CC1(C=C)OC1C(=O)OC
InChIInChI=1S/C8H10O3/c1-4-8(5-2)6(11-8)7(9)10-3/h4-6H,1-2H2,3H3
InChIKeyJJKYASZCPHGMLX-UHFFFAOYSA-N
XLogP0.67
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Methyl 7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxylate
CID 12414263
ethyl (2S,3R)-3-[(E)-prop-1-enyl]oxirane-2-carboxylate
CID 10820809
Tert-butyl 7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxylate
CID 12488874
methyl 2-methyl-3-[(E)-prop-1-enyl]oxirane-2-carboxylate
CID 131243860
Methyl 6-deuterio-7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxylate
CID 12414264
Methyl 2,3-bis(ethenyl)-3-methyloxirane-2-carboxylate
CID 134995964
Methyl 2,6-dideuterio-7-oxabicyclo[4.1.0]hepta-2,4-diene-1-carboxylate
CID 134996809
methyl (2R,3S)-2,3-bis(ethenyl)-3-methoxyoxirane-2-carboxylate
CID 139247375
methyl (2R,3S)-2,3-bis(ethenyl)-3-methyloxirane-2-carboxylate
CID 139247377
Ethyl 2-prop-2-enyloxirane-2-carboxylate
CID 19424513
1-(2-Methyl-3-oxooxiran-2-yl)ethyl prop-2-enoate
CID 23135009
Prop-2-enyl 2,3-dimethyloxirane-2-carboxylate
CID 54065278

Frequently Asked Questions

What is the IUPAC name of methyl 3,3-bis(ethenyl)oxirane-2-carboxylate?
The IUPAC name of methyl 3,3-bis(ethenyl)oxirane-2-carboxylate (CID 22975835) is methyl 3,3-bis(ethenyl)oxirane-2-carboxylate.
What is the SMILES notation for methyl 3,3-bis(ethenyl)oxirane-2-carboxylate?
The canonical SMILES for methyl 3,3-bis(ethenyl)oxirane-2-carboxylate is C=CC1(C=C)OC1C(=O)OC.
What is the InChIKey of methyl 3,3-bis(ethenyl)oxirane-2-carboxylate?
The InChIKey is JJKYASZCPHGMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-4-8(5-2)6(11-8)7(9)10-3/h4-6H,1-2H2,3H3.
What are the key properties of methyl 3,3-bis(ethenyl)oxirane-2-carboxylate?
methyl 3,3-bis(ethenyl)oxirane-2-carboxylate has a molecular weight of 154.16 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-bis(ethenyl)oxirane-2-carboxylate is sourced from PubChem (CID 22975835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).