[(2R,6R)-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate

C15H24O5 — CID 53305268

IUPAC[(2R,6R)-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)O[C@@H]1C=CC(=O)[C@@H](COC(=O)C(C)(C)C)O1
InChIInChI=1S/C15H24O5/c1-14(2,3)13(17)18-9-11-10(16)7-8-12(19-11)20-15(4,5)6/h7-8,11-12H,9H2,1-6H3/t11-,12-/m1/s1
InChIKeyUPRLUYVXYQKYJZ-VXGBXAGGSA-N
MW284.35 g/mol
LogP2.24
Rot. Bonds3

About [(2R,6R)-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate

[(2R,6R)-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate (PubChem CID 53305268) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is [(2R,6R)-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R,6R)-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
PubChem CID53305268
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name[(2R,6R)-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)O[C@@H]1C=CC(=O)[C@@H](COC(=O)C(C)(C)C)O1
InChIInChI=1S/C15H24O5/c1-14(2,3)13(17)18-9-11-10(16)7-8-12(19-11)20-15(4,5)6/h7-8,11-12H,9H2,1-6H3/t11-,12-/m1/s1
InChIKeyUPRLUYVXYQKYJZ-VXGBXAGGSA-N
XLogP2.24
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

CID 53305269
CID 53305269
CID 53305270
CID 53305270
CID 137648350
CID 137648350
CID 11402978
CID 11402978
CID 53249072
CID 53249072
CID 53249073
CID 53249073
CID 53304831
CID 53304831
CID 53305124
CID 53305124
CID 53305125
CID 53305125
CID 53305266
CID 53305266
CID 53305267
CID 53305267
CID 53305271
CID 53305271

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2R,6R)-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate (CID 53305268) is [(2R,6R)-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R,6R)-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2R,6R)-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)O[C@@H]1C=CC(=O)[C@@H](COC(=O)C(C)(C)C)O1.
What is the InChIKey of [(2R,6R)-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is UPRLUYVXYQKYJZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H24O5/c1-14(2,3)13(17)18-9-11-10(16)7-8-12(19-11)20-15(4,5)6/h7-8,11-12H,9H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of [(2R,6R)-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate?
[(2R,6R)-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 284.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2-[(2-methylpropan-2-yl)oxy]-5-oxo-2H-pyran-6-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 53305268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).