(6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one

C8H10O3 — CID 166437379

IUPAC(6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one
SMILESC=CC[C@@H]1OC(O)C=CC1=O
InChIInChI=1S/C8H10O3/c1-2-3-7-6(9)4-5-8(10)11-7/h2,4-5,7-8,10H,1,3H2/t7-,8?/m0/s1
InChIKeyMJJUMGYNZZRTOK-JAMMHHFISA-N
MW154.16 g/mol
LogP0.41
Rot. Bonds2

About (6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one

(6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one (PubChem CID 166437379) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one.

Molecular Properties

Compound Name(6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one
PubChem CID166437379
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one
SMILESC=CC[C@@H]1OC(O)C=CC1=O
InChIInChI=1S/C8H10O3/c1-2-3-7-6(9)4-5-8(10)11-7/h2,4-5,7-8,10H,1,3H2/t7-,8?/m0/s1
InChIKeyMJJUMGYNZZRTOK-JAMMHHFISA-N
XLogP0.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

6-hydroxy-2H-pyran-3(6H)-one
CID 10855419
2H-Pyran-3(6H)-one, 2-ethyl-6-methoxy-
CID 332602
Methyl 2,3,6-trideoxy-alpha-glycero-hex-2-enopyranosid-4-ulose
CID 3082380
2-Ethyl-6-hydroxy-2H-pyran-3(6H)-one
CID 337011
6-Hydroxy-2,2-dimethyl-2H-pyran-3(6H)-one
CID 13929384
6-hydroxy-2,6-dimethyl-2H-pyran-3(6H)-one
CID 11040796
(2R,6S)-2-methoxy-6-methyl-2H-pyran-5-one
CID 11073522
6-Hydroxy-2-methyl-2H-pyran-3(6H)-one
CID 13011787
2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041217
(2R)-2-hydroxy-2H-pyran-5-one
CID 18649696
L-aculose
CID 71407800
2-hydroxy-6-propyl-2H-pyran-5-one
CID 130030816

Frequently Asked Questions

What is the IUPAC name of (6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one?
The IUPAC name of (6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one (CID 166437379) is (6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one.
What is the SMILES notation for (6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one?
The canonical SMILES for (6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one is C=CC[C@@H]1OC(O)C=CC1=O.
What is the InChIKey of (6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one?
The InChIKey is MJJUMGYNZZRTOK-JAMMHHFISA-N. The full InChI is InChI=1S/C8H10O3/c1-2-3-7-6(9)4-5-8(10)11-7/h2,4-5,7-8,10H,1,3H2/t7-,8?/m0/s1.
What are the key properties of (6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one?
(6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one has a molecular weight of 154.16 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one is sourced from PubChem (CID 166437379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).