tert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate

C11H16O5 — CID 11961824

IUPACtert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate
SMILESC[C@H]1O[C@@H](OC(=O)OC(C)(C)C)C=CC1=O
InChIInChI=1S/C11H16O5/c1-7-8(12)5-6-9(14-7)15-10(13)16-11(2,3)4/h5-7,9H,1-4H3/t7-,9+/m1/s1
InChIKeyLGVZLQALXYJODJ-APPZFPTMSA-N
MW228.24 g/mol
LogP1.81
Rot. Bonds1

About tert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate

tert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate (PubChem CID 11961824) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is tert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate
PubChem CID11961824
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Nametert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate
SMILESC[C@H]1O[C@@H](OC(=O)OC(C)(C)C)C=CC1=O
InChIInChI=1S/C11H16O5/c1-7-8(12)5-6-9(14-7)15-10(13)16-11(2,3)4/h5-7,9H,1-4H3/t7-,9+/m1/s1
InChIKeyLGVZLQALXYJODJ-APPZFPTMSA-N
XLogP1.81
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate with MolForge

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Related Compounds

2H-Pyran-3(6H)-one, 2-ethyl-6-methoxy-
CID 332602
[(2S,6R)-2-isopropoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 11402978
[(2S,6R)-2-isopentyloxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53249073
[(2S,6R)-2-butoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305266
[(2S,6R)-2-isobutoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305267
[(2R,6R)-2-tert-butoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305268
[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53305412
[(2R,6R)-2-tert-butoxy-5-oxo-2H-pyran-6-yl]methyl acetate
CID 53305415
[(2S,6R)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 54582354
[(2R,6S)-3-Oxo-6-(propan-2-yloxy)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
CID 54584293
Methyl 2,3,6-trideoxy-alpha-glycero-hex-2-enopyranosid-4-ulose
CID 3082380
6-Acetoxy-2H-pyran-3(6H)-one
CID 11116290

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate?
The IUPAC name of tert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate (CID 11961824) is tert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate.
What is the SMILES notation for tert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate?
The canonical SMILES for tert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate is C[C@H]1O[C@@H](OC(=O)OC(C)(C)C)C=CC1=O.
What is the InChIKey of tert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate?
The InChIKey is LGVZLQALXYJODJ-APPZFPTMSA-N. The full InChI is InChI=1S/C11H16O5/c1-7-8(12)5-6-9(14-7)15-10(13)16-11(2,3)4/h5-7,9H,1-4H3/t7-,9+/m1/s1.
What are the key properties of tert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate?
tert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate has a molecular weight of 228.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2S,6R)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate is sourced from PubChem (CID 11961824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).