[(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate

C15H24O6 — CID 53304829

IUPAC[(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)O[C@@H]1C=C(CO)C(=O)[C@@H](COC(=O)C(C)(C)C)O1
InChIInChI=1S/C15H24O6/c1-9(2)20-12-6-10(7-16)13(17)11(21-12)8-19-14(18)15(3,4)5/h6,9,11-12,16H,7-8H2,1-5H3/t11-,12+/m1/s1
InChIKeyWTYOJIUFBSHGGK-NEPJUHHUSA-N
MW300.35 g/mol
LogP1.21
Rot. Bonds5

About [(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate

[(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate (PubChem CID 53304829) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is [(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
PubChem CID53304829
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name[(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)O[C@@H]1C=C(CO)C(=O)[C@@H](COC(=O)C(C)(C)C)O1
InChIInChI=1S/C15H24O6/c1-9(2)20-12-6-10(7-16)13(17)11(21-12)8-19-14(18)15(3,4)5/h6,9,11-12,16H,7-8H2,1-5H3/t11-,12+/m1/s1
InChIKeyWTYOJIUFBSHGGK-NEPJUHHUSA-N
XLogP1.21
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate with MolForge

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Related Compounds

[(2S,6R)-5-oxo-2-pentoxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53305269
[(2S,6R)-4-[(1R)-1-Hydroxybutyl]-2-isopropoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 21580831
[(2S,6R)-4-[(1R)-1-hydroxydecyl]-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 21580832
[(2S,6R)-4-(hydroxymethyl)-2-isopentyloxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 53304830
[(2R,6S)-4-[(Acetyloxy)methyl]-6-(3-methylbutoxy)-3-oxo-3,6-dihydro-2H-pyran-2-yl]methyl 2,2-dimethylpropanoate
CID 53304831
(4S,5R)-2-(hydroxymethyl)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one
CID 15031419
(2S,6R)-6-(hydroxymethyl)-2-pentoxy-2H-pyran-5-one
CID 53305126
(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)-2-propan-2-yloxy-2H-pyran-5-one
CID 71681000
[(6R)-2-hydroxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 100997525
[(2S,6R)-4-(hydroxymethyl)-2-methoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 101471433
[(2S,6R)-4-(acetyloxymethyl)-2-decoxy-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 102200824
[(2S,6R)-4-(acetyloxymethyl)-2-(cyclopropylmethoxy)-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
CID 102200826

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate (CID 53304829) is [(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate is CC(C)O[C@@H]1C=C(CO)C(=O)[C@@H](COC(=O)C(C)(C)C)O1.
What is the InChIKey of [(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is WTYOJIUFBSHGGK-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H24O6/c1-9(2)20-12-6-10(7-16)13(17)11(21-12)8-19-14(18)15(3,4)5/h6,9,11-12,16H,7-8H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of [(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate?
[(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 300.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-4-(hydroxymethyl)-5-oxo-2-propan-2-yloxy-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 53304829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).