2,2-dimethylpropan-1-olate

C5H11O- — CID 12555050

IUPAC2,2-dimethylpropan-1-olate
SMILESCC(C)(C)C[O-]
InChIInChI=1S/C5H11O/c1-5(2,3)4-6/h4H2,1-3H3/q-1
InChIKeyOWXMSEODTKOVIB-UHFFFAOYSA-N
MW87.14 g/mol
LogP0.39
Rot. Bonds

About 2,2-dimethylpropan-1-olate

2,2-dimethylpropan-1-olate (PubChem CID 12555050) has the molecular formula C5H11O- and a molecular weight of 87.14 g/mol. Its IUPAC name is 2,2-dimethylpropan-1-olate.

Molecular Properties

Compound Name2,2-dimethylpropan-1-olate
PubChem CID12555050
Molecular FormulaC5H11O-
Molecular Weight87.14 g/mol
Exact Mass87.08
IUPAC Name2,2-dimethylpropan-1-olate
SMILESCC(C)(C)C[O-]
InChIInChI=1S/C5H11O/c1-5(2,3)4-6/h4H2,1-3H3/q-1
InChIKeyOWXMSEODTKOVIB-UHFFFAOYSA-N
XLogP0.39
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.14
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methoxy-2,2-dimethylpropane
CID 136871
2-Methylpropan-1-olate
CID 3594982
CID 5489517
CID 5489517
Hypochlorous acid 2,2-dimethylpropyl ester
CID 12583348
Sodium 2,2-dimethylpropan-1-olate
CID 23672300
Potassium 2,2-dimethylpropan-1-olate
CID 23675521
Propyldioxy, 2,2-dimethyl-
CID 176472
2,2-Dimethylpropyl hypofluorite
CID 140411092
Dilithium;2-methanidyl-2-methylpropan-1-olate
CID 23693268
CID 5483709
CID 5483709
2,2-Dimethyl-1-sulfanyloxypropane
CID 21740550
Lithium 2,2-dimethylpropan-1-olate
CID 23661849

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropan-1-olate?
The IUPAC name of 2,2-dimethylpropan-1-olate (CID 12555050) is 2,2-dimethylpropan-1-olate.
What is the SMILES notation for 2,2-dimethylpropan-1-olate?
The canonical SMILES for 2,2-dimethylpropan-1-olate is CC(C)(C)C[O-].
What is the InChIKey of 2,2-dimethylpropan-1-olate?
The InChIKey is OWXMSEODTKOVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O/c1-5(2,3)4-6/h4H2,1-3H3/q-1.
What are the key properties of 2,2-dimethylpropan-1-olate?
2,2-dimethylpropan-1-olate has a molecular weight of 87.14 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropan-1-olate is sourced from PubChem (CID 12555050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).