(6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one

C8H12O3 — CID 14041218

IUPAC(6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one
SMILESCC(C)[C@@H]1OC(O)C=CC1=O
InChIInChI=1S/C8H12O3/c1-5(2)8-6(9)3-4-7(10)11-8/h3-5,7-8,10H,1-2H3/t7?,8-/m0/s1
InChIKeyNELPFHSGUHHZSX-MQWKRIRWSA-N
MW156.18 g/mol
LogP0.48
Rot. Bonds1

About (6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one

(6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one (PubChem CID 14041218) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one.

Molecular Properties

Compound Name(6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one
PubChem CID14041218
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one
SMILESCC(C)[C@@H]1OC(O)C=CC1=O
InChIInChI=1S/C8H12O3/c1-5(2)8-6(9)3-4-7(10)11-8/h3-5,7-8,10H,1-2H3/t7?,8-/m0/s1
InChIKeyNELPFHSGUHHZSX-MQWKRIRWSA-N
XLogP0.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2H-Pyran-3(6H)-one, 2-ethyl-6-methoxy-
CID 332602
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-methyl-2H-pyran-3(6H)-one
CID 13011787
2-hydroxy-6-propan-2-yl-2H-pyran-5-one
CID 14041217
L-aculose
CID 71407800
2-hydroxy-6-propyl-2H-pyran-5-one
CID 130030816
2-hydroxy-4,6-dimethyl-2H-pyran-5-one
CID 135035537
Ctk0I7202
CID 11029859
6-Hydroxy-6-methyl-2-propan-2-ylpyran-3-one
CID 11194577
(2R,6S)-6-hydroxy-2-propan-2-yl-6-prop-2-enylpyran-3-one
CID 11975691
(6S)-6-ethyl-2-hydroxy-2H-pyran-5-one
CID 13011778

Frequently Asked Questions

What is the IUPAC name of (6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one?
The IUPAC name of (6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one (CID 14041218) is (6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one.
What is the SMILES notation for (6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one?
The canonical SMILES for (6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one is CC(C)[C@@H]1OC(O)C=CC1=O.
What is the InChIKey of (6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one?
The InChIKey is NELPFHSGUHHZSX-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H12O3/c1-5(2)8-6(9)3-4-7(10)11-8/h3-5,7-8,10H,1-2H3/t7?,8-/m0/s1.
What are the key properties of (6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one?
(6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one has a molecular weight of 156.18 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-hydroxy-6-propan-2-yl-2H-pyran-5-one is sourced from PubChem (CID 14041218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).