(2S)-2-hydroxy-3-methylbutan-2-olate

C5H11O2- — CID 59952741

IUPAC(2S)-2-hydroxy-3-methylbutan-2-olate
SMILESCC(C)[C@@](C)([O-])O
InChIInChI=1S/C5H11O2/c1-4(2)5(3,6)7/h4,6H,1-3H3/q-1/t5-/m1/s1
InChIKeyYNEDTBQIDJGMTI-RXMQYKEDSA-N
MW103.14 g/mol
LogP-0.29
Rot. Bonds1

About (2S)-2-hydroxy-3-methylbutan-2-olate

(2S)-2-hydroxy-3-methylbutan-2-olate (PubChem CID 59952741) has the molecular formula C5H11O2- and a molecular weight of 103.14 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-methylbutan-2-olate.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-methylbutan-2-olate
PubChem CID59952741
Molecular FormulaC5H11O2-
Molecular Weight103.14 g/mol
Exact Mass103.08
IUPAC Name(2S)-2-hydroxy-3-methylbutan-2-olate
SMILESCC(C)[C@@](C)([O-])O
InChIInChI=1S/C5H11O2/c1-4(2)5(3,6)7/h4,6H,1-3H3/q-1/t5-/m1/s1
InChIKeyYNEDTBQIDJGMTI-RXMQYKEDSA-N
XLogP-0.29
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl(213C)butan-2-ol
CID 100985919
2,3-dimethylbutan-2-ol;titanium
CID 151633599
potassium 1,1-dihydroxyethanolate
CID 142786674
2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one
CID 150831609
2-dimethylphosphoryl-3-methylbutan-2-ol
CID 22957307
2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate
CID 157467331
CID 154669639
CID 154669639
2,4,4,5-tetramethyl-3-propan-2-ylhexan-3-ol
CID 142313824
4-hydroxy-3,4-dimethyl-2-oxopentanoic acid
CID 146257384
2,3-dimethyl-2-sulfanylbutanamide
CID 55284967
methanol;2-methylpropan-2-ol;bis(propan-2-ol)
CID 173031794
sodium 2-hydroxy-3-methoxybutane-2-sulfonate
CID 103574242

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-methylbutan-2-olate?
The IUPAC name of (2S)-2-hydroxy-3-methylbutan-2-olate (CID 59952741) is (2S)-2-hydroxy-3-methylbutan-2-olate.
What is the SMILES notation for (2S)-2-hydroxy-3-methylbutan-2-olate?
The canonical SMILES for (2S)-2-hydroxy-3-methylbutan-2-olate is CC(C)[C@@](C)([O-])O.
What is the InChIKey of (2S)-2-hydroxy-3-methylbutan-2-olate?
The InChIKey is YNEDTBQIDJGMTI-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11O2/c1-4(2)5(3,6)7/h4,6H,1-3H3/q-1/t5-/m1/s1.
What are the key properties of (2S)-2-hydroxy-3-methylbutan-2-olate?
(2S)-2-hydroxy-3-methylbutan-2-olate has a molecular weight of 103.14 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-methylbutan-2-olate is sourced from PubChem (CID 59952741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).