2-hydroxy-2-methylbutanoic acid;propan-2-ol

C8H18O4 — CID 87318263

IUPAC2-hydroxy-2-methylbutanoic acid;propan-2-ol
SMILESCC(C)O.CCC(C)(O)C(=O)O
InChIInChI=1S/C5H10O3.C3H8O/c1-3-5(2,8)4(6)7;1-3(2)4/h8H,3H2,1-2H3,(H,6,7);3-4H,1-2H3
InChIKeyRRHLXHBZLYOOHA-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.62
Rot. Bonds2

About 2-hydroxy-2-methylbutanoic acid;propan-2-ol

2-hydroxy-2-methylbutanoic acid;propan-2-ol (PubChem CID 87318263) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-hydroxy-2-methylbutanoic acid;propan-2-ol.

Molecular Properties

Compound Name2-hydroxy-2-methylbutanoic acid;propan-2-ol
PubChem CID87318263
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name2-hydroxy-2-methylbutanoic acid;propan-2-ol
SMILESCC(C)O.CCC(C)(O)C(=O)O
InChIInChI=1S/C5H10O3.C3H8O/c1-3-5(2,8)4(6)7;1-3(2)4/h8H,3H2,1-2H3,(H,6,7);3-4H,1-2H3
InChIKeyRRHLXHBZLYOOHA-UHFFFAOYSA-N
XLogP0.62
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol
CID 134329051
2,4,5-trihydroxy-2-methylpentanoic acid
CID 87080116
2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 104644167
2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid
CID 175114056
3-hydroxy-3,6-dimethyloctan-4-one
CID 103446752
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
bis(3-ethyl-2-hydroxypentane-1,2,3-tricarboxylic acid);bis(propan-2-ol);zirconium
CID 173047546
3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173185
ethanol;methanol;2-methylpropan-2-ol;propan-2-ol
CID 157184290

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methylbutanoic acid;propan-2-ol?
The IUPAC name of 2-hydroxy-2-methylbutanoic acid;propan-2-ol (CID 87318263) is 2-hydroxy-2-methylbutanoic acid;propan-2-ol.
What is the SMILES notation for 2-hydroxy-2-methylbutanoic acid;propan-2-ol?
The canonical SMILES for 2-hydroxy-2-methylbutanoic acid;propan-2-ol is CC(C)O.CCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methylbutanoic acid;propan-2-ol?
The InChIKey is RRHLXHBZLYOOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H8O/c1-3-5(2,8)4(6)7;1-3(2)4/h8H,3H2,1-2H3,(H,6,7);3-4H,1-2H3.
What are the key properties of 2-hydroxy-2-methylbutanoic acid;propan-2-ol?
2-hydroxy-2-methylbutanoic acid;propan-2-ol has a molecular weight of 178.23 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methylbutanoic acid;propan-2-ol is sourced from PubChem (CID 87318263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).