2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid

C11H20O4 — CID 65248373

IUPAC2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid
SMILESCC(C)(CCOC1CCOCC1)C(=O)O
InChIInChI=1S/C11H20O4/c1-11(2,10(12)13)5-8-15-9-3-6-14-7-4-9/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyMBIGGGAIZULMOM-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.68
Rot. Bonds5

About 2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid

2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid (PubChem CID 65248373) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid
PubChem CID65248373
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid
SMILESCC(C)(CCOC1CCOCC1)C(=O)O
InChIInChI=1S/C11H20O4/c1-11(2,10(12)13)5-8-15-9-3-6-14-7-4-9/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyMBIGGGAIZULMOM-UHFFFAOYSA-N
XLogP1.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-(oxan-4-yloxy)pentanoic acid
CID 65259719
1-amino-2-methyl-4-(oxan-4-yloxy)butan-2-ol
CID 64819646
2-methyl-2-(methylamino)-5-(oxolan-3-yloxy)pentanoic acid
CID 63557693
2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid
CID 106806746
2-methyl-2-(methylamino)-4-(oxan-4-yloxy)butan-1-ol
CID 64809766
2,2-dimethyl-4-(oxan-4-ylamino)butanoic acid
CID 115221048
2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol
CID 64810792
2-ethyl-5-(oxan-4-yloxy)-2-(propylamino)pentanoic acid
CID 106806747
N'-hydroxy-2,2-dimethyl-6-(oxan-4-yloxy)hexanimidamide
CID 106711830
2-(methylamino)-4-(oxan-4-yloxy)butanoic acid
CID 63040373
2,2-dimethyl-3-(oxan-4-ylamino)propanoic acid
CID 79624339
2-methyl-3-[3-(oxan-4-yloxy)propanoylamino]-2-phenylpropanoic acid
CID 120700725

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid (CID 65248373) is 2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid is CC(C)(CCOC1CCOCC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid?
The InChIKey is MBIGGGAIZULMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-11(2,10(12)13)5-8-15-9-3-6-14-7-4-9/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid?
2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(oxan-4-yloxy)butanoic acid is sourced from PubChem (CID 65248373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).