5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one

C10H14O3 — CID 130145291

IUPAC5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one
SMILESC=CCC1C(C=C)COC(=O)C1O
InChIInChI=1S/C10H14O3/c1-3-5-8-7(4-2)6-13-10(12)9(8)11/h3-4,7-9,11H,1-2,5-6H2
InChIKeyARHNMAKZNUDOHC-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.90
Rot. Bonds3

About 5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one

5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one (PubChem CID 130145291) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one.

Molecular Properties

Compound Name5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one
PubChem CID130145291
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one
SMILESC=CCC1C(C=C)COC(=O)C1O
InChIInChI=1S/C10H14O3/c1-3-5-8-7(4-2)6-13-10(12)9(8)11/h3-4,7-9,11H,1-2,5-6H2
InChIKeyARHNMAKZNUDOHC-UHFFFAOYSA-N
XLogP0.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-prop-2-enyloxan-2-one
CID 123319317
(3R,4R)-3-hydroxy-4-methyloxolan-2-one
CID 10953469
5-methylidene-3-prop-2-enyloxolan-2-one
CID 59050416
(3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one
CID 131176445
(3R,4R)-4-fluoro-3-hydroxyoxolan-2-one
CID 131176048
3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione
CID 174972510
(4R,4aR,7S,7aR)-4-ethenyl-7-methyl-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyran-1-one
CID 143708510
(3aR,7S,7aS)-7-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one
CID 139266003
4-prop-2-enyloxan-2-one
CID 10558704
4-iodo-5-oxooxolane-3-carbaldehyde
CID 166018928
3-(iodomethyl)-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 142625411
(3S,4S,5R)-5-phenyl-4-prop-2-enyloxolan-3-ol
CID 12996147

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one?
The IUPAC name of 5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one (CID 130145291) is 5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one.
What is the SMILES notation for 5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one?
The canonical SMILES for 5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one is C=CCC1C(C=C)COC(=O)C1O.
What is the InChIKey of 5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one?
The InChIKey is ARHNMAKZNUDOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-5-8-7(4-2)6-13-10(12)9(8)11/h3-4,7-9,11H,1-2,5-6H2.
What are the key properties of 5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one?
5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one is sourced from PubChem (CID 130145291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).