ethenyl acetate;4-hydroxypentanoic acid

C9H16O5 — CID 174750348

IUPACethenyl acetate;4-hydroxypentanoic acid
SMILESC=COC(C)=O.CC(O)CCC(=O)O
InChIInChI=1S/C5H10O3.C4H6O2/c1-4(6)2-3-5(7)8;1-3-6-4(2)5/h4,6H,2-3H2,1H3,(H,7,8);3H,1H2,2H3
InChIKeyUSZZMADVFAHNRB-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.93
Rot. Bonds4

About ethenyl acetate;4-hydroxypentanoic acid

ethenyl acetate;4-hydroxypentanoic acid (PubChem CID 174750348) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is ethenyl acetate;4-hydroxypentanoic acid.

Molecular Properties

Compound Nameethenyl acetate;4-hydroxypentanoic acid
PubChem CID174750348
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Nameethenyl acetate;4-hydroxypentanoic acid
SMILESC=COC(C)=O.CC(O)CCC(=O)O
InChIInChI=1S/C5H10O3.C4H6O2/c1-4(6)2-3-5(7)8;1-3-6-4(2)5/h4,6H,2-3H2,1H3,(H,7,8);3H,1H2,2H3
InChIKeyUSZZMADVFAHNRB-UHFFFAOYSA-N
XLogP0.93
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 174248174
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1,1-diethoxyethane;ethenyl acetate
CID 88506327
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Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;4-hydroxypentanoic acid?
The IUPAC name of ethenyl acetate;4-hydroxypentanoic acid (CID 174750348) is ethenyl acetate;4-hydroxypentanoic acid.
What is the SMILES notation for ethenyl acetate;4-hydroxypentanoic acid?
The canonical SMILES for ethenyl acetate;4-hydroxypentanoic acid is C=COC(C)=O.CC(O)CCC(=O)O.
What is the InChIKey of ethenyl acetate;4-hydroxypentanoic acid?
The InChIKey is USZZMADVFAHNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C4H6O2/c1-4(6)2-3-5(7)8;1-3-6-4(2)5/h4,6H,2-3H2,1H3,(H,7,8);3H,1H2,2H3.
What are the key properties of ethenyl acetate;4-hydroxypentanoic acid?
ethenyl acetate;4-hydroxypentanoic acid has a molecular weight of 204.22 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;4-hydroxypentanoic acid is sourced from PubChem (CID 174750348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).