2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid

C10H20O4 — CID 103377767

IUPAC2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid
SMILESCC(O)C(C)OC(C)(C(=O)O)C(C)C
InChIInChI=1S/C10H20O4/c1-6(2)10(5,9(12)13)14-8(4)7(3)11/h6-8,11H,1-5H3,(H,12,13)
InChIKeyIRTGMDVAMJFBTE-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.27
Rot. Bonds5

About 2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid

2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid (PubChem CID 103377767) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid
PubChem CID103377767
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid
SMILESCC(O)C(C)OC(C)(C(=O)O)C(C)C
InChIInChI=1S/C10H20O4/c1-6(2)10(5,9(12)13)14-8(4)7(3)11/h6-8,11H,1-5H3,(H,12,13)
InChIKeyIRTGMDVAMJFBTE-UHFFFAOYSA-N
XLogP1.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxybutan-2-yloxy)-2-(1-methylcyclopropyl)propanoic acid
CID 103377761
2-(3-hydroxybutan-2-yloxy)butane-2,3-diol
CID 89306364
2-(3-hydroxybutan-2-yloxy)-2-methyloctanoic acid
CID 103377742
3-methoxy-3,4-dimethylpentan-2-one
CID 83225040
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378
methyl 2-methoxy-2,3-dimethylbutanoate
CID 59972485
tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopentanoate
CID 22825860
(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-2-methylhexanoic acid
CID 173086648
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
2-[(1S)-1-hydroxyethyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 158254830
2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid
CID 112590814
(2R)-2-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 57066489

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid?
The IUPAC name of 2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid (CID 103377767) is 2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid is CC(O)C(C)OC(C)(C(=O)O)C(C)C.
What is the InChIKey of 2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid?
The InChIKey is IRTGMDVAMJFBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-6(2)10(5,9(12)13)14-8(4)7(3)11/h6-8,11H,1-5H3,(H,12,13).
What are the key properties of 2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid?
2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid has a molecular weight of 204.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-yloxy)-2,3-dimethylbutanoic acid is sourced from PubChem (CID 103377767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).