ethene;propanoic acid

C10H20O4 — CID 158726825

IUPACethene;propanoic acid
SMILESC=C.C=C.CCC(=O)O.CCC(=O)O
InChIInChI=1S/2C3H6O2.2C2H4/c2*1-2-3(4)5;2*1-2/h2*2H2,1H3,(H,4,5);2*1-2H2
InChIKeyIKPKOUPNPGWGCY-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.57
Rot. Bonds2

About ethene;propanoic acid

ethene;propanoic acid (PubChem CID 158726825) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is ethene;propanoic acid.

Molecular Properties

Compound Nameethene;propanoic acid
PubChem CID158726825
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Nameethene;propanoic acid
SMILESC=C.C=C.CCC(=O)O.CCC(=O)O
InChIInChI=1S/2C3H6O2.2C2H4/c2*1-2-3(4)5;2*1-2/h2*2H2,1H3,(H,4,5);2*1-2H2
InChIKeyIKPKOUPNPGWGCY-UHFFFAOYSA-N
XLogP2.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 57432895
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CID 87066971
CID 87066971
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CID 23623813
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CID 87391840
propanoic acid;zirconium
CID 88666887
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CID 173419874
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CID 173208103
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CID 5150615

Frequently Asked Questions

What is the IUPAC name of ethene;propanoic acid?
The IUPAC name of ethene;propanoic acid (CID 158726825) is ethene;propanoic acid.
What is the SMILES notation for ethene;propanoic acid?
The canonical SMILES for ethene;propanoic acid is C=C.C=C.CCC(=O)O.CCC(=O)O.
What is the InChIKey of ethene;propanoic acid?
The InChIKey is IKPKOUPNPGWGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O2.2C2H4/c2*1-2-3(4)5;2*1-2/h2*2H2,1H3,(H,4,5);2*1-2H2.
What are the key properties of ethene;propanoic acid?
ethene;propanoic acid has a molecular weight of 204.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;propanoic acid is sourced from PubChem (CID 158726825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).