ethene;ethenyl acetate;2-hydroxypropanoic acid

C9H16O5 — CID 174695365

IUPACethene;ethenyl acetate;2-hydroxypropanoic acid
SMILESC=C.C=COC(C)=O.CC(O)C(=O)O
InChIInChI=1S/C4H6O2.C3H6O3.C2H4/c1-3-6-4(2)5;1-2(4)3(5)6;1-2/h3H,1H2,2H3;2,4H,1H3,(H,5,6);1-2H2
InChIKeyHUUANXQWMAZLDN-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.95
Rot. Bonds2

About ethene;ethenyl acetate;2-hydroxypropanoic acid

ethene;ethenyl acetate;2-hydroxypropanoic acid (PubChem CID 174695365) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is ethene;ethenyl acetate;2-hydroxypropanoic acid.

Molecular Properties

Compound Nameethene;ethenyl acetate;2-hydroxypropanoic acid
PubChem CID174695365
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Nameethene;ethenyl acetate;2-hydroxypropanoic acid
SMILESC=C.C=COC(C)=O.CC(O)C(=O)O
InChIInChI=1S/C4H6O2.C3H6O3.C2H4/c1-3-6-4(2)5;1-2(4)3(5)6;1-2/h3H,1H2,2H3;2,4H,1H3,(H,5,6);1-2H2
InChIKeyHUUANXQWMAZLDN-UHFFFAOYSA-N
XLogP0.95
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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CID 22321303
CID 22321303
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ethane;ethenyl acetate;2-methylbutanoic acid
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CID 174859664
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CID 174750348
bis((Z)-but-2-enedioic acid);ethenyl acetate
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CID 18921270

Frequently Asked Questions

What is the IUPAC name of ethene;ethenyl acetate;2-hydroxypropanoic acid?
The IUPAC name of ethene;ethenyl acetate;2-hydroxypropanoic acid (CID 174695365) is ethene;ethenyl acetate;2-hydroxypropanoic acid.
What is the SMILES notation for ethene;ethenyl acetate;2-hydroxypropanoic acid?
The canonical SMILES for ethene;ethenyl acetate;2-hydroxypropanoic acid is C=C.C=COC(C)=O.CC(O)C(=O)O.
What is the InChIKey of ethene;ethenyl acetate;2-hydroxypropanoic acid?
The InChIKey is HUUANXQWMAZLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H6O3.C2H4/c1-3-6-4(2)5;1-2(4)3(5)6;1-2/h3H,1H2,2H3;2,4H,1H3,(H,5,6);1-2H2.
What are the key properties of ethene;ethenyl acetate;2-hydroxypropanoic acid?
ethene;ethenyl acetate;2-hydroxypropanoic acid has a molecular weight of 204.22 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethenyl acetate;2-hydroxypropanoic acid is sourced from PubChem (CID 174695365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).