(2S)-2-propan-2-yloxy-2H-pyran-5-one

C8H12O3 — CID 93493317

IUPAC(2S)-2-propan-2-yloxy-2H-pyran-5-one
SMILESCC(C)O[C@H]1C=CC(=O)CO1
InChIInChI=1S/C8H12O3/c1-6(2)11-8-4-3-7(9)5-10-8/h3-4,6,8H,5H2,1-2H3/t8-/m0/s1
InChIKeyQOBVYDFJCWOWOW-QMMMGPOBSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds2

About (2S)-2-propan-2-yloxy-2H-pyran-5-one

(2S)-2-propan-2-yloxy-2H-pyran-5-one (PubChem CID 93493317) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (2S)-2-propan-2-yloxy-2H-pyran-5-one.

Molecular Properties

Compound Name(2S)-2-propan-2-yloxy-2H-pyran-5-one
PubChem CID93493317
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(2S)-2-propan-2-yloxy-2H-pyran-5-one
SMILESCC(C)O[C@H]1C=CC(=O)CO1
InChIInChI=1S/C8H12O3/c1-6(2)11-8-4-3-7(9)5-10-8/h3-4,6,8H,5H2,1-2H3/t8-/m0/s1
InChIKeyQOBVYDFJCWOWOW-QMMMGPOBSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzhydryloxy-2H-pyran-5-one
CID 68616900
methyl (5-oxo-2H-pyran-2-yl) carbonate
CID 14474060
2-butoxy-2H-pyran-5-one
CID 21397289
(3R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-amine
CID 45090953
[(3R,6S)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-3-yl] methanesulfonate
CID 101167955
[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-[[(2S)-5-oxo-2H-pyran-2-yl]oxymethyl]oxan-3-yl] acetate
CID 101257365
(5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one
CID 45096380
[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-3-[[(2R)-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]methyl acetate
CID 101257367
(2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one
CID 101353726
6-methylcyclohex-4-ene-1,3-dione
CID 154133243
(4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one
CID 11817669
dimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium
CID 20672826

Frequently Asked Questions

What is the IUPAC name of (2S)-2-propan-2-yloxy-2H-pyran-5-one?
The IUPAC name of (2S)-2-propan-2-yloxy-2H-pyran-5-one (CID 93493317) is (2S)-2-propan-2-yloxy-2H-pyran-5-one.
What is the SMILES notation for (2S)-2-propan-2-yloxy-2H-pyran-5-one?
The canonical SMILES for (2S)-2-propan-2-yloxy-2H-pyran-5-one is CC(C)O[C@H]1C=CC(=O)CO1.
What is the InChIKey of (2S)-2-propan-2-yloxy-2H-pyran-5-one?
The InChIKey is QOBVYDFJCWOWOW-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12O3/c1-6(2)11-8-4-3-7(9)5-10-8/h3-4,6,8H,5H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-propan-2-yloxy-2H-pyran-5-one?
(2S)-2-propan-2-yloxy-2H-pyran-5-one has a molecular weight of 156.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propan-2-yloxy-2H-pyran-5-one is sourced from PubChem (CID 93493317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).