ethenyl 3-hydroxyhex-5-enoate

C8H12O3 — CID 88768254

IUPACethenyl 3-hydroxyhex-5-enoate
SMILESC=CCC(O)CC(=O)OC=C
InChIInChI=1S/C8H12O3/c1-3-5-7(9)6-8(10)11-4-2/h3-4,7,9H,1-2,5-6H2
InChIKeyXEMYVSBVSOQYTQ-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.00
Rot. Bonds5

About ethenyl 3-hydroxyhex-5-enoate

ethenyl 3-hydroxyhex-5-enoate (PubChem CID 88768254) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethenyl 3-hydroxyhex-5-enoate.

Molecular Properties

Compound Nameethenyl 3-hydroxyhex-5-enoate
PubChem CID88768254
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameethenyl 3-hydroxyhex-5-enoate
SMILESC=CCC(O)CC(=O)OC=C
InChIInChI=1S/C8H12O3/c1-3-5-7(9)6-8(10)11-4-2/h3-4,7,9H,1-2,5-6H2
InChIKeyXEMYVSBVSOQYTQ-UHFFFAOYSA-N
XLogP1.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.00
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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Frequently Asked Questions

What is the IUPAC name of ethenyl 3-hydroxyhex-5-enoate?
The IUPAC name of ethenyl 3-hydroxyhex-5-enoate (CID 88768254) is ethenyl 3-hydroxyhex-5-enoate.
What is the SMILES notation for ethenyl 3-hydroxyhex-5-enoate?
The canonical SMILES for ethenyl 3-hydroxyhex-5-enoate is C=CCC(O)CC(=O)OC=C.
What is the InChIKey of ethenyl 3-hydroxyhex-5-enoate?
The InChIKey is XEMYVSBVSOQYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-5-7(9)6-8(10)11-4-2/h3-4,7,9H,1-2,5-6H2.
What are the key properties of ethenyl 3-hydroxyhex-5-enoate?
ethenyl 3-hydroxyhex-5-enoate has a molecular weight of 156.18 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-hydroxyhex-5-enoate is sourced from PubChem (CID 88768254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).