(2R)-6-hydroxy-2-methyl-6-prop-2-enylpyran-3-one

C9H12O3 — CID 72707768

IUPAC(2R)-6-hydroxy-2-methyl-6-prop-2-enylpyran-3-one
SMILESC=CCC1(O)C=CC(=O)[C@@H](C)O1
InChIInChI=1S/C9H12O3/c1-3-5-9(11)6-4-8(10)7(2)12-9/h3-4,6-7,11H,1,5H2,2H3/t7-,9?/m1/s1
InChIKeyGMOQGJWVPJYGNE-YOXFSPIKSA-N
MW168.19 g/mol
LogP0.80
Rot. Bonds2

About (2R)-6-hydroxy-2-methyl-6-prop-2-enylpyran-3-one

(2R)-6-hydroxy-2-methyl-6-prop-2-enylpyran-3-one (PubChem CID 72707768) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is (2R)-6-hydroxy-2-methyl-6-prop-2-enylpyran-3-one.

Molecular Properties

Compound Name(2R)-6-hydroxy-2-methyl-6-prop-2-enylpyran-3-one
PubChem CID72707768
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name(2R)-6-hydroxy-2-methyl-6-prop-2-enylpyran-3-one
SMILESC=CCC1(O)C=CC(=O)[C@@H](C)O1
InChIInChI=1S/C9H12O3/c1-3-5-9(11)6-4-8(10)7(2)12-9/h3-4,6-7,11H,1,5H2,2H3/t7-,9?/m1/s1
InChIKeyGMOQGJWVPJYGNE-YOXFSPIKSA-N
XLogP0.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.80
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

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-6-methylpyran-3-one
CID 14827349
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
2,6-dimethyl-2H-pyran-5-one
CID 22916282
L-aculose
CID 71407800
(2S,6R)-6-methyl-2-prop-2-enyl-2H-pyran-5-one
CID 72707769
Hydroxy-2-methyl-2h-pyran-3-(6h)one
CID 129720139

Frequently Asked Questions

What is the IUPAC name of (2R)-6-hydroxy-2-methyl-6-prop-2-enylpyran-3-one?
The IUPAC name of (2R)-6-hydroxy-2-methyl-6-prop-2-enylpyran-3-one (CID 72707768) is (2R)-6-hydroxy-2-methyl-6-prop-2-enylpyran-3-one.
What is the SMILES notation for (2R)-6-hydroxy-2-methyl-6-prop-2-enylpyran-3-one?
The canonical SMILES for (2R)-6-hydroxy-2-methyl-6-prop-2-enylpyran-3-one is C=CCC1(O)C=CC(=O)[C@@H](C)O1.
What is the InChIKey of (2R)-6-hydroxy-2-methyl-6-prop-2-enylpyran-3-one?
The InChIKey is GMOQGJWVPJYGNE-YOXFSPIKSA-N. The full InChI is InChI=1S/C9H12O3/c1-3-5-9(11)6-4-8(10)7(2)12-9/h3-4,6-7,11H,1,5H2,2H3/t7-,9?/m1/s1.
What are the key properties of (2R)-6-hydroxy-2-methyl-6-prop-2-enylpyran-3-one?
(2R)-6-hydroxy-2-methyl-6-prop-2-enylpyran-3-one has a molecular weight of 168.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-hydroxy-2-methyl-6-prop-2-enylpyran-3-one is sourced from PubChem (CID 72707768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).