methyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate

C11H16O5 — CID 155759527

IUPACmethyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate
SMILESCOC(=O)OC1=CC(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C11H16O5/c1-10(2)7(12)6-8(11(3,4)16-10)15-9(13)14-5/h6H,1-5H3
InChIKeyBYSJIUOKCKRUGO-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.81
Rot. Bonds1

About methyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate

methyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate (PubChem CID 155759527) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is methyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate.

Molecular Properties

Compound Namemethyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate
PubChem CID155759527
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namemethyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate
SMILESCOC(=O)OC1=CC(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C11H16O5/c1-10(2)7(12)6-8(11(3,4)16-10)15-9(13)14-5/h6H,1-5H3
InChIKeyBYSJIUOKCKRUGO-UHFFFAOYSA-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 methyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl [(2R)-2-methyl-2-octyl-5-oxothiophen-3-yl] carbonate
CID 10040479
methyl 1,1,3,3-tetramethyl-2-benzofuran-5-carboxylate
CID 84820512
methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate
CID 20661198
methyl [2,2,6,6-tetramethyl-4-(2-methyl-5-thiophen-3-ylphenyl)-5-oxopyran-3-yl] carbonate
CID 58515746
3-methoxy-6,6-dimethylpyran-2,5-dione
CID 130027764
[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
CID 22123751
methyl N-[(Z)-(2,2,5,5-tetramethyl-4-oxooxolan-3-ylidene)amino]carbamate
CID 23272978
[4-[5-(4-bromothiophen-2-yl)-2-methylphenyl]-2,2,6,6-tetramethyl-5-oxopyran-3-yl] methyl carbonate
CID 58515880
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
[(6S)-2,2,6-trimethyl-5-oxo-6-[2-(7-oxofuro[3,2-g]chromen-4-yl)oxyethyl]pyran-3-yl] acetate
CID 163060127
methyl 1,2-thiazol-3-yl carbonate
CID 119096302

Frequently Asked Questions

What is the IUPAC name of methyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate?
The IUPAC name of methyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate (CID 155759527) is methyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate.
What is the SMILES notation for methyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate?
The canonical SMILES for methyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate is COC(=O)OC1=CC(=O)C(C)(C)OC1(C)C.
What is the InChIKey of methyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate?
The InChIKey is BYSJIUOKCKRUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-10(2)7(12)6-8(11(3,4)16-10)15-9(13)14-5/h6H,1-5H3.
What are the key properties of methyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate?
methyl (2,2,6,6-tetramethyl-5-oxopyran-3-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 methyl (2,2,6,6-tetramethyl-5-oxopyran-3-yl) carbonate is sourced from PubChem (CID 155759527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).