(2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one

C9H14O3 — CID 101353726

IUPAC(2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one
SMILESCC(C)O[C@@H]1O[C@@H](C)C=CC1=O
InChIInChI=1S/C9H14O3/c1-6(2)11-9-8(10)5-4-7(3)12-9/h4-7,9H,1-3H3/t7-,9+/m0/s1
InChIKeySNZZWJJPVBJSRQ-IONNQARKSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds2

About (2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one

(2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one (PubChem CID 101353726) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one.

Molecular Properties

Compound Name(2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one
PubChem CID101353726
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one
SMILESCC(C)O[C@@H]1O[C@@H](C)C=CC1=O
InChIInChI=1S/C9H14O3/c1-6(2)11-9-8(10)5-4-7(3)12-9/h4-7,9H,1-3H3/t7-,9+/m0/s1
InChIKeySNZZWJJPVBJSRQ-IONNQARKSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-2,6-dimethyl-2H-pyran-5-one
CID 10749188
(2S)-2-propan-2-yloxy-2H-pyran-5-one
CID 93493317
2-hydroxy-6-(3-methyloxiran-2-yl)-2H-pyran-5-one
CID 15237092
(2R,6R)-6-methyl-2-(2-methylpropylsulfanyl)-(613C)2H-pyran-5-one
CID 175799619
(2R)-2,5-dimethyl-2,5-dihydrofuran
CID 154537787
(1S,5R,6R)-5-trimethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 101175779
(3aS,4R,7S,7aS)-2-propan-2-yloxy-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 7427698
[(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate
CID 53230539
(4S)-4,5-dimethylcyclopent-2-en-1-one
CID 59939751
(4S,5R)-4,5-dimethylcyclopent-2-en-1-one
CID 12892584
7-[(2S)-2-methylbutoxy]bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 101012189
(6-methyl-5-oxo-2H-pyran-2-yl) acetate
CID 13031642

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one?
The IUPAC name of (2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one (CID 101353726) is (2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one.
What is the SMILES notation for (2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one?
The canonical SMILES for (2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one is CC(C)O[C@@H]1O[C@@H](C)C=CC1=O.
What is the InChIKey of (2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one?
The InChIKey is SNZZWJJPVBJSRQ-IONNQARKSA-N. The full InChI is InChI=1S/C9H14O3/c1-6(2)11-9-8(10)5-4-7(3)12-9/h4-7,9H,1-3H3/t7-,9+/m0/s1.
What are the key properties of (2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one?
(2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one has a molecular weight of 170.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-methyl-6-propan-2-yloxy-2H-pyran-5-one is sourced from PubChem (CID 101353726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).