5-hydroxy-4,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]oxan-2-one

C11H20O4 — CID 14326047

IUPAC5-hydroxy-4,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]oxan-2-one
SMILESCC(C)(C)OC1OC(=O)CC(C)(C)C1O
InChIInChI=1S/C11H20O4/c1-10(2,3)15-9-8(13)11(4,5)6-7(12)14-9/h8-9,13H,6H2,1-5H3
InChIKeyGHTYGUODSXSHJJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.46
Rot. Bonds1

About 5-hydroxy-4,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]oxan-2-one

5-hydroxy-4,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]oxan-2-one (PubChem CID 14326047) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-hydroxy-4,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]oxan-2-one.

Molecular Properties

Compound Name5-hydroxy-4,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]oxan-2-one
PubChem CID14326047
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name5-hydroxy-4,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]oxan-2-one
SMILESCC(C)(C)OC1OC(=O)CC(C)(C)C1O
InChIInChI=1S/C11H20O4/c1-10(2,3)15-9-8(13)11(4,5)6-7(12)14-9/h8-9,13H,6H2,1-5H3
InChIKeyGHTYGUODSXSHJJ-UHFFFAOYSA-N
XLogP1.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]oxan-2-one?
The IUPAC name of 5-hydroxy-4,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]oxan-2-one (CID 14326047) is 5-hydroxy-4,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]oxan-2-one.
What is the SMILES notation for 5-hydroxy-4,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]oxan-2-one?
The canonical SMILES for 5-hydroxy-4,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]oxan-2-one is CC(C)(C)OC1OC(=O)CC(C)(C)C1O.
What is the InChIKey of 5-hydroxy-4,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]oxan-2-one?
The InChIKey is GHTYGUODSXSHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-10(2,3)15-9-8(13)11(4,5)6-7(12)14-9/h8-9,13H,6H2,1-5H3.
What are the key properties of 5-hydroxy-4,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]oxan-2-one?
5-hydroxy-4,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]oxan-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]oxan-2-one is sourced from PubChem (CID 14326047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).