3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid

C10H20O3 — CID 105443227

IUPAC3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid
SMILESCC(C)(C)C(C)(O)C(C)(C)C(=O)O
InChIInChI=1S/C10H20O3/c1-8(2,3)10(6,13)9(4,5)7(11)12/h13H,1-6H3,(H,11,12)
InChIKeyFULNCJSQSSMTJI-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.89
Rot. Bonds2

About 3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid

3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid (PubChem CID 105443227) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid.

Molecular Properties

Compound Name3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid
PubChem CID105443227
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid
SMILESCC(C)(C)C(C)(O)C(C)(C)C(=O)O
InChIInChI=1S/C10H20O3/c1-8(2,3)10(6,13)9(4,5)7(11)12/h13H,1-6H3,(H,11,12)
InChIKeyFULNCJSQSSMTJI-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
(2S,3S)-2,3-ditert-butyl-2,3-dihydroxybutanedioic acid
CID 151227491
3,3,3-triamino-2,2-dimethylpropanoic acid
CID 87392414
2,2-dimethylpropanoic acid
CID 87781698
carbonic acid;2-methylpropan-2-ol
CID 87955021
2,2-ditert-butyl-3,3-dimethylbutanoic acid
CID 24975659
2-bromo-2-hydroxypropanoic acid
CID 88707429
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
bis(2,3-dihydroxy-2,3-dimethylbutanedioic acid);bis(oxovanadium)
CID 5255084
2-chloro-2-hydroxypropanoic acid;silver
CID 175606695
1,2,3,4-tetramethylpentane-1,1,2,3,4-pentacarboxylic acid
CID 88727821

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid?
The IUPAC name of 3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid (CID 105443227) is 3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid.
What is the SMILES notation for 3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid?
The canonical SMILES for 3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid is CC(C)(C)C(C)(O)C(C)(C)C(=O)O.
What is the InChIKey of 3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid?
The InChIKey is FULNCJSQSSMTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(2,3)10(6,13)9(4,5)7(11)12/h13H,1-6H3,(H,11,12).
What are the key properties of 3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid?
3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid has a molecular weight of 188.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2,3,4,4-pentamethylpentanoic acid is sourced from PubChem (CID 105443227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).