ethenyl 4-hydroxy-5-prop-2-enoxypentanoate

C10H16O4 — CID 87983588

IUPACethenyl 4-hydroxy-5-prop-2-enoxypentanoate
SMILESC=CCOCC(O)CCC(=O)OC=C
InChIInChI=1S/C10H16O4/c1-3-7-13-8-9(11)5-6-10(12)14-4-2/h3-4,9,11H,1-2,5-8H2
InChIKeyOVQGGSZGGRDFML-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.02
Rot. Bonds8

About ethenyl 4-hydroxy-5-prop-2-enoxypentanoate

ethenyl 4-hydroxy-5-prop-2-enoxypentanoate (PubChem CID 87983588) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethenyl 4-hydroxy-5-prop-2-enoxypentanoate.

Molecular Properties

Compound Nameethenyl 4-hydroxy-5-prop-2-enoxypentanoate
PubChem CID87983588
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethenyl 4-hydroxy-5-prop-2-enoxypentanoate
SMILESC=CCOCC(O)CCC(=O)OC=C
InChIInChI=1S/C10H16O4/c1-3-7-13-8-9(11)5-6-10(12)14-4-2/h3-4,9,11H,1-2,5-8H2
InChIKeyOVQGGSZGGRDFML-UHFFFAOYSA-N
XLogP1.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enoxyhex-5-en-2-ol
CID 12963723
CID 154701098
CID 154701098
3-hydroxy-4-prop-2-enoxybutane-1-sulfonic acid
CID 102408153
bis(ethenyl) hexanedioate
CID 19997
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
1-ethoxy-3-prop-2-enoxypropan-2-ol
CID 10953806
bis(2-hydroxy-3-prop-2-enoxypropyl) sulfate
CID 174573548
ethenyl 3-chloropropanoate
CID 13050129
bis(ethenyl) 4-(2-ethenoxy-2-oxoethyl)-3,5-dimethyloctanedioate
CID 89004731
1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 172513845
bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
CID 174422738

Frequently Asked Questions

What is the IUPAC name of ethenyl 4-hydroxy-5-prop-2-enoxypentanoate?
The IUPAC name of ethenyl 4-hydroxy-5-prop-2-enoxypentanoate (CID 87983588) is ethenyl 4-hydroxy-5-prop-2-enoxypentanoate.
What is the SMILES notation for ethenyl 4-hydroxy-5-prop-2-enoxypentanoate?
The canonical SMILES for ethenyl 4-hydroxy-5-prop-2-enoxypentanoate is C=CCOCC(O)CCC(=O)OC=C.
What is the InChIKey of ethenyl 4-hydroxy-5-prop-2-enoxypentanoate?
The InChIKey is OVQGGSZGGRDFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-7-13-8-9(11)5-6-10(12)14-4-2/h3-4,9,11H,1-2,5-8H2.
What are the key properties of ethenyl 4-hydroxy-5-prop-2-enoxypentanoate?
ethenyl 4-hydroxy-5-prop-2-enoxypentanoate has a molecular weight of 200.23 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-hydroxy-5-prop-2-enoxypentanoate is sourced from PubChem (CID 87983588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).