but-3-enoic acid;ethenyl propanoate

C9H14O4 — CID 157316958

IUPACbut-3-enoic acid;ethenyl propanoate
SMILESC=CCC(=O)O.C=COC(=O)CC
InChIInChI=1S/C5H8O2.C4H6O2/c1-3-5(6)7-4-2;1-2-3-4(5)6/h4H,2-3H2,1H3;2H,1,3H2,(H,5,6)
InChIKeyBDSBBVDHACQTJD-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.73
Rot. Bonds4

About but-3-enoic acid;ethenyl propanoate

but-3-enoic acid;ethenyl propanoate (PubChem CID 157316958) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is but-3-enoic acid;ethenyl propanoate.

Molecular Properties

Compound Namebut-3-enoic acid;ethenyl propanoate
PubChem CID157316958
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Namebut-3-enoic acid;ethenyl propanoate
SMILESC=CCC(=O)O.C=COC(=O)CC
InChIInChI=1S/C5H8O2.C4H6O2/c1-3-5(6)7-4-2;1-2-3-4(5)6/h4H,2-3H2,1H3;2H,1,3H2,(H,5,6)
InChIKeyBDSBBVDHACQTJD-UHFFFAOYSA-N
XLogP1.73
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

but-3-enoic acid;ethenyl propanoate;1-ethenylpyrrolidin-2-one;prop-2-enenitrile
CID 174803535
1,4-bis(ethenyl)benzene;ethenyl propanoate
CID 174939231
but-3-enoic acid;(Z)-4-ethenoxy-4-oxobut-2-enoic acid
CID 175246297
7,7-dimethyloctanoic acid;ethene;ethenyl propanoate
CID 174397854
[(1Z)-2-ethenoxybuta-1,3-dienyl] propanoate
CID 141450045
but-3-enoic acid;trimethylsilyl but-3-enoate
CID 159552551
but-3-enoic acid;dichloromethane
CID 174886985
azane;prop-2-enyl propanoate
CID 87729437
but-3-enoic acid;sulfuric acid
CID 87373537
but-2-enoic acid;but-3-enoic acid;ethenyl 7,7-dimethyloctanoate
CID 173426194
propan-2-one;prop-2-enyl propanoate
CID 174904905
chloromethane;prop-2-enyl propanoate
CID 174815872

Frequently Asked Questions

What is the IUPAC name of but-3-enoic acid;ethenyl propanoate?
The IUPAC name of but-3-enoic acid;ethenyl propanoate (CID 157316958) is but-3-enoic acid;ethenyl propanoate.
What is the SMILES notation for but-3-enoic acid;ethenyl propanoate?
The canonical SMILES for but-3-enoic acid;ethenyl propanoate is C=CCC(=O)O.C=COC(=O)CC.
What is the InChIKey of but-3-enoic acid;ethenyl propanoate?
The InChIKey is BDSBBVDHACQTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H6O2/c1-3-5(6)7-4-2;1-2-3-4(5)6/h4H,2-3H2,1H3;2H,1,3H2,(H,5,6).
What are the key properties of but-3-enoic acid;ethenyl propanoate?
but-3-enoic acid;ethenyl propanoate has a molecular weight of 186.21 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoic acid;ethenyl propanoate is sourced from PubChem (CID 157316958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).