2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid

C8H16O3 — CID 83694809

IUPAC2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid
SMILESCCC(O)(C(=O)O)C(C)(C)C
InChIInChI=1S/C8H16O3/c1-5-8(11,6(9)10)7(2,3)4/h11H,5H2,1-4H3,(H,9,10)
InChIKeyBTEXZALBXCDGSI-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.26
Rot. Bonds2

About 2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid

2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid (PubChem CID 83694809) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid
PubChem CID83694809
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid
SMILESCCC(O)(C(=O)O)C(C)(C)C
InChIInChI=1S/C8H16O3/c1-5-8(11,6(9)10)7(2,3)4/h11H,5H2,1-4H3,(H,9,10)
InChIKeyBTEXZALBXCDGSI-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-(hydroxymethyl)-3,3-dimethylbutanoic acid
CID 86184670
2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol
CID 134329051
2-fluoro-2-methylbutanoic acid
CID 11366977
(2S)-2-fluoro-2-methylbutanoic acid
CID 18651777
2,2-dimethylbutanoic acid;methane
CID 159782886
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
2-hydroxy-2-methylbutanoic acid;propan-2-ol
CID 87318263
4-hydroxy-2,2,4-trimethylhexanoic acid
CID 114495175
2,2,3,3-tetraethylbutanedioic acid
CID 23424098
(2S,3S)-2,3-ditert-butyl-2,3-dihydroxybutanedioic acid
CID 151227491
carbanide;2,2-dimethylbutanoic acid;vanadium
CID 58461761
(2S)-2-amino-2-methylbutanoic acid
CID 6971276

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid?
The IUPAC name of 2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid (CID 83694809) is 2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid is CCC(O)(C(=O)O)C(C)(C)C.
What is the InChIKey of 2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid?
The InChIKey is BTEXZALBXCDGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-8(11,6(9)10)7(2,3)4/h11H,5H2,1-4H3,(H,9,10).
What are the key properties of 2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid?
2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid is sourced from PubChem (CID 83694809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).