ethenyl 2-acetyloxybut-2-enoate

C8H10O4 — CID 174371549

IUPACethenyl 2-acetyloxybut-2-enoate
SMILESC=COC(=O)C(=CC)OC(C)=O
InChIInChI=1S/C8H10O4/c1-4-7(12-6(3)9)8(10)11-5-2/h4-5H,2H2,1,3H3
InChIKeyMHBQLIYRZJLMHV-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.14
Rot. Bonds3

About ethenyl 2-acetyloxybut-2-enoate

ethenyl 2-acetyloxybut-2-enoate (PubChem CID 174371549) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is ethenyl 2-acetyloxybut-2-enoate.

Molecular Properties

Compound Nameethenyl 2-acetyloxybut-2-enoate
PubChem CID174371549
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Nameethenyl 2-acetyloxybut-2-enoate
SMILESC=COC(=O)C(=CC)OC(C)=O
InChIInChI=1S/C8H10O4/c1-4-7(12-6(3)9)8(10)11-5-2/h4-5H,2H2,1,3H3
InChIKeyMHBQLIYRZJLMHV-UHFFFAOYSA-N
XLogP1.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-ethenoxy-2-methylhexa-1,4-dien-3-one
CID 123413127
ethenyl acetate
CID 7904
acetic acid;acetyl acetate;ethenyl acetate
CID 158501483
methyl (Z)-2-ethenoxybut-2-enoate
CID 143080515
(Z)-2-ethenoxybut-2-enoic acid
CID 142329685
4-ethenoxy-2-methylhex-4-en-3-one
CID 90754214
ethene;ethenyl acetate;hydrofluoride
CID 158693082
ethenyl acetate;formic acid
CID 175608061
ethenyl acetate;methoxyethene
CID 18921270
ethenyl 2-methyl-3-silylprop-2-enoate
CID 173461885
ethenyl 2-methylbuta-2,3-dienoate
CID 174869086
bis(ethenyl) (Z)-2-methylbut-2-enedioate
CID 11819677

Frequently Asked Questions

What is the IUPAC name of ethenyl 2-acetyloxybut-2-enoate?
The IUPAC name of ethenyl 2-acetyloxybut-2-enoate (CID 174371549) is ethenyl 2-acetyloxybut-2-enoate.
What is the SMILES notation for ethenyl 2-acetyloxybut-2-enoate?
The canonical SMILES for ethenyl 2-acetyloxybut-2-enoate is C=COC(=O)C(=CC)OC(C)=O.
What is the InChIKey of ethenyl 2-acetyloxybut-2-enoate?
The InChIKey is MHBQLIYRZJLMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-4-7(12-6(3)9)8(10)11-5-2/h4-5H,2H2,1,3H3.
What are the key properties of ethenyl 2-acetyloxybut-2-enoate?
ethenyl 2-acetyloxybut-2-enoate has a molecular weight of 170.16 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-acetyloxybut-2-enoate is sourced from PubChem (CID 174371549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).