2-methylbutan-2-olate

C5H11O- — CID 5086053

IUPAC2-methylbutan-2-olate
SMILESCCC(C)(C)[O-]
InChIInChI=1S/C5H11O/c1-4-5(2,3)6/h4H2,1-3H3/q-1
InChIKeyZUQHFMXQTJQNON-UHFFFAOYSA-N
MW87.14 g/mol
LogP0.54
Rot. Bonds1

About 2-methylbutan-2-olate

2-methylbutan-2-olate (PubChem CID 5086053) has the molecular formula C5H11O- and a molecular weight of 87.14 g/mol. Its IUPAC name is 2-methylbutan-2-olate.

Molecular Properties

Compound Name2-methylbutan-2-olate
PubChem CID5086053
Molecular FormulaC5H11O-
Molecular Weight87.14 g/mol
Exact Mass87.08
IUPAC Name2-methylbutan-2-olate
SMILESCCC(C)(C)[O-]
InChIInChI=1S/C5H11O/c1-4-5(2,3)6/h4H2,1-3H3/q-1
InChIKeyZUQHFMXQTJQNON-UHFFFAOYSA-N
XLogP0.54
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.14
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-olate?
The IUPAC name of 2-methylbutan-2-olate (CID 5086053) is 2-methylbutan-2-olate.
What is the SMILES notation for 2-methylbutan-2-olate?
The canonical SMILES for 2-methylbutan-2-olate is CCC(C)(C)[O-].
What is the InChIKey of 2-methylbutan-2-olate?
The InChIKey is ZUQHFMXQTJQNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O/c1-4-5(2,3)6/h4H2,1-3H3/q-1.
What are the key properties of 2-methylbutan-2-olate?
2-methylbutan-2-olate has a molecular weight of 87.14 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-olate is sourced from PubChem (CID 5086053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).