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

C11H16O5 — CID 122376424

IUPACtert-butyl [(6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate
SMILESC[C@@H]1OC(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?/m0/s1
InChIKeyLGVZLQALXYJODJ-JAVCKPHESA-N
MW228.24 g/mol
LogP1.81
Rot. Bonds1

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

tert-butyl [(6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate (PubChem CID 122376424) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is tert-butyl [(6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate
PubChem CID122376424
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Nametert-butyl [(6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate
SMILESC[C@@H]1OC(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?/m0/s1
InChIKeyLGVZLQALXYJODJ-JAVCKPHESA-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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [(6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate?
The IUPAC name of tert-butyl [(6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate (CID 122376424) is tert-butyl [(6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate.
What is the SMILES notation for tert-butyl [(6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate?
The canonical SMILES for tert-butyl [(6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate is C[C@@H]1OC(OC(=O)OC(C)(C)C)C=CC1=O.
What is the InChIKey of tert-butyl [(6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate?
The InChIKey is LGVZLQALXYJODJ-JAVCKPHESA-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?/m0/s1.
What are the key properties of tert-butyl [(6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate?
tert-butyl [(6S)-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 [(6S)-6-methyl-5-oxo-2H-pyran-2-yl] carbonate is sourced from PubChem (CID 122376424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).