(2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one

C8H10O3 — CID 6475274

IUPAC(2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one
SMILESC/C=C/[C@@H]1OC(=O)C=C[C@@H]1O
InChIInChI=1S/C8H10O3/c1-2-3-7-6(9)4-5-8(10)11-7/h2-7,9H,1H3/b3-2+/t6-,7-/m0/s1
InChIKeyOKDRUMBNXIYUEO-VHJVCUAWSA-N
MW154.16 g/mol
LogP0.41
Rot. Bonds1

About (2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one

(2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one (PubChem CID 6475274) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one
PubChem CID6475274
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one
SMILESC/C=C/[C@@H]1OC(=O)C=C[C@@H]1O
InChIInChI=1S/C8H10O3/c1-2-3-7-6(9)4-5-8(10)11-7/h2-7,9H,1H3/b3-2+/t6-,7-/m0/s1
InChIKeyOKDRUMBNXIYUEO-VHJVCUAWSA-N
XLogP0.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.41
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

Osmundalactone
CID 12374456
Osumudalactome
CID 12374457
Pectinolide C
CID 10038670
Phomopsolide B
CID 6442165
(5R)-5-[(1S)-1-Hydroxyethyl]-2(5H)-furanone
CID 10986239
5-(1-Hydroxyethyl)-2(5H)-furanone
CID 12374454
2-(Prop-2-enoxymethyl)-2,3-dihydropyran-6-one
CID 12213804
Pectinolide B
CID 10400831
[(Z,3R)-1-[(2S,3S)-3-hydroxy-6-oxo-2,3-dihydropyran-2-yl]hept-1-en-3-yl] acetate
CID 155539444
(2S,3S)-3-hydroxy-2-[(Z,3S)-3-hydroxyhept-1-enyl]-2,3-dihydropyran-6-one
CID 155539748
5-(hydroxymethyl)-2(5H)-furanone
CID 144863
(S)-(-)-5-Hydroxymethyl-2(5H)-furanone
CID 10176122

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one (CID 6475274) is (2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one is C/C=C/[C@@H]1OC(=O)C=C[C@@H]1O.
What is the InChIKey of (2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one?
The InChIKey is OKDRUMBNXIYUEO-VHJVCUAWSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-3-7-6(9)4-5-8(10)11-7/h2-7,9H,1H3/b3-2+/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one?
(2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one has a molecular weight of 154.16 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 6475274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).