ethenyl 2-methylbuta-2,3-dienoate

C7H8O2 — CID 174869086

IUPACethenyl 2-methylbuta-2,3-dienoate
SMILESC=C=C(C)C(=O)OC=C
InChIInChI=1S/C7H8O2/c1-4-6(3)7(8)9-5-2/h5H,1-2H2,3H3
InChIKeyMMNDBGZZELMSJA-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.40
Rot. Bonds2

About ethenyl 2-methylbuta-2,3-dienoate

ethenyl 2-methylbuta-2,3-dienoate (PubChem CID 174869086) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is ethenyl 2-methylbuta-2,3-dienoate.

Molecular Properties

Compound Nameethenyl 2-methylbuta-2,3-dienoate
PubChem CID174869086
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Nameethenyl 2-methylbuta-2,3-dienoate
SMILESC=C=C(C)C(=O)OC=C
InChIInChI=1S/C7H8O2/c1-4-6(3)7(8)9-5-2/h5H,1-2H2,3H3
InChIKeyMMNDBGZZELMSJA-UHFFFAOYSA-N
XLogP1.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(ethenyl) (Z)-2-methylbut-2-enedioate
CID 11819677
ethene;ethenyl acetate;hydrofluoride
CID 158693082
ethenyl 2-methylprop-2-enoate isocyanate
CID 22239289
ethenyl acetate
CID 7904
ethenyl 2-methyl-3-silylprop-2-enoate
CID 173461885
ethenyl 2-methyl-4-oxobut-2-enoate
CID 123561703
ethenyl acetate;oxalonitrile
CID 174923759
CID 22321303
CID 22321303
bis(ethenyl) carbonate;ethene
CID 87073622
ethenyl 2-acetyloxybut-2-enoate
CID 174371549
(Z)-but-2-enedioic acid;ethene;ethenyl acetate
CID 174897820
ethenyl acetate;methoxyethene
CID 18921270

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-methylbuta-2,3-dienoate?
The IUPAC name of ethenyl 2-methylbuta-2,3-dienoate (CID 174869086) is ethenyl 2-methylbuta-2,3-dienoate.
What is the SMILES notation for ethenyl 2-methylbuta-2,3-dienoate?
The canonical SMILES for ethenyl 2-methylbuta-2,3-dienoate is C=C=C(C)C(=O)OC=C.
What is the InChIKey of ethenyl 2-methylbuta-2,3-dienoate?
The InChIKey is MMNDBGZZELMSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-4-6(3)7(8)9-5-2/h5H,1-2H2,3H3.
What are the key properties of ethenyl 2-methylbuta-2,3-dienoate?
ethenyl 2-methylbuta-2,3-dienoate has a molecular weight of 124.14 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-methylbuta-2,3-dienoate is sourced from PubChem (CID 174869086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).