4-ethenyl-1,4-dihydroxyhex-5-en-3-one

C8H12O3 — CID 141256157

IUPAC4-ethenyl-1,4-dihydroxyhex-5-en-3-one
SMILESC=CC(O)(C=C)C(=O)CCO
InChIInChI=1S/C8H12O3/c1-3-8(11,4-2)7(10)5-6-9/h3-4,9,11H,1-2,5-6H2
InChIKeyASCVWKDBFDCILF-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.04
Rot. Bonds5

About 4-ethenyl-1,4-dihydroxyhex-5-en-3-one

4-ethenyl-1,4-dihydroxyhex-5-en-3-one (PubChem CID 141256157) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-ethenyl-1,4-dihydroxyhex-5-en-3-one.

Molecular Properties

Compound Name4-ethenyl-1,4-dihydroxyhex-5-en-3-one
PubChem CID141256157
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name4-ethenyl-1,4-dihydroxyhex-5-en-3-one
SMILESC=CC(O)(C=C)C(=O)CCO
InChIInChI=1S/C8H12O3/c1-3-8(11,4-2)7(10)5-6-9/h3-4,9,11H,1-2,5-6H2
InChIKeyASCVWKDBFDCILF-UHFFFAOYSA-N
XLogP0.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxyhept-6-en-3-one
CID 152521380
1-fluoro-3,3-bis(2-fluoroacetyl)oct-7-ene-2,4-dione
CID 88614750
3-ethenylpent-4-ene-1,3-diol
CID 57295100
1-azido-1-ethoxy-1,4-dihydroxybutan-2-one
CID 175107112
ethane-1,2-diol;tetrakis(prop-2-enoic acid)
CID 157215005
2-ethenylpropane-1,2,3-triol
CID 130123389
dodecakis(ethane-1,2-diol);tridecakis(prop-2-enoic acid)
CID 173073218
2-methylbuta-1,3-diene;3-methylbut-3-en-1-ol
CID 89443123
2-amino-2-methylhept-6-en-3-one
CID 116560102
ethane-1,2-diol;prop-2-enoic acid;trifluoro(trifluoromethoxy)methane
CID 175354998
prop-2-enyl 4-hydroxybutanoate
CID 11367059
2-hydroxyacetic acid;2-hydroxy-2-prop-2-enylpent-4-enoic acid
CID 88654397

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1,4-dihydroxyhex-5-en-3-one?
The IUPAC name of 4-ethenyl-1,4-dihydroxyhex-5-en-3-one (CID 141256157) is 4-ethenyl-1,4-dihydroxyhex-5-en-3-one.
What is the SMILES notation for 4-ethenyl-1,4-dihydroxyhex-5-en-3-one?
The canonical SMILES for 4-ethenyl-1,4-dihydroxyhex-5-en-3-one is C=CC(O)(C=C)C(=O)CCO.
What is the InChIKey of 4-ethenyl-1,4-dihydroxyhex-5-en-3-one?
The InChIKey is ASCVWKDBFDCILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-8(11,4-2)7(10)5-6-9/h3-4,9,11H,1-2,5-6H2.
What are the key properties of 4-ethenyl-1,4-dihydroxyhex-5-en-3-one?
4-ethenyl-1,4-dihydroxyhex-5-en-3-one has a molecular weight of 156.18 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,4-dihydroxyhex-5-en-3-one is sourced from PubChem (CID 141256157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).