(1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one

C15H28O3 — CID 155206829

IUPAC(1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one
SMILESCC(C)C(=O)[C@H](OC(C)(C)C)[C@H]1CCC(C)(C)O1
InChIInChI=1S/C15H28O3/c1-10(2)12(16)13(18-14(3,4)5)11-8-9-15(6,7)17-11/h10-11,13H,8-9H2,1-7H3/t11-,13-/m1/s1
InChIKeyVXICLPDZODMSJX-DGCLKSJQSA-N
MW256.39 g/mol
LogP3.35
Rot. Bonds4

About (1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one

(1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one (PubChem CID 155206829) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one.

Molecular Properties

Compound Name(1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one
PubChem CID155206829
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one
SMILESCC(C)C(=O)[C@H](OC(C)(C)C)[C@H]1CCC(C)(C)O1
InChIInChI=1S/C15H28O3/c1-10(2)12(16)13(18-14(3,4)5)11-8-9-15(6,7)17-11/h10-11,13H,8-9H2,1-7H3/t11-,13-/m1/s1
InChIKeyVXICLPDZODMSJX-DGCLKSJQSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one?
The IUPAC name of (1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one (CID 155206829) is (1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one.
What is the SMILES notation for (1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one?
The canonical SMILES for (1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one is CC(C)C(=O)[C@H](OC(C)(C)C)[C@H]1CCC(C)(C)O1.
What is the InChIKey of (1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one?
The InChIKey is VXICLPDZODMSJX-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H28O3/c1-10(2)12(16)13(18-14(3,4)5)11-8-9-15(6,7)17-11/h10-11,13H,8-9H2,1-7H3/t11-,13-/m1/s1.
What are the key properties of (1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one?
(1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one has a molecular weight of 256.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R)-5,5-dimethyloxolan-2-yl]-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-one is sourced from PubChem (CID 155206829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).