2-methylpropan-1-olate

C4H9O- — CID 3594982

IUPAC2-methylpropan-1-olate
SMILESCC(C)C[O-]
InChIInChI=1S/C4H9O/c1-4(2)3-5/h4H,3H2,1-2H3/q-1
InChIKeyKKTIUPFFKCQPKQ-UHFFFAOYSA-N
MW73.11 g/mol
LogP0.00
Rot. Bonds1

About 2-methylpropan-1-olate

2-methylpropan-1-olate (PubChem CID 3594982) has the molecular formula C4H9O- and a molecular weight of 73.11 g/mol. Its IUPAC name is 2-methylpropan-1-olate.

Molecular Properties

Compound Name2-methylpropan-1-olate
PubChem CID3594982
Molecular FormulaC4H9O-
Molecular Weight73.11 g/mol
Exact Mass73.07
IUPAC Name2-methylpropan-1-olate
SMILESCC(C)C[O-]
InChIInChI=1S/C4H9O/c1-4(2)3-5/h4H,3H2,1-2H3/q-1
InChIKeyKKTIUPFFKCQPKQ-UHFFFAOYSA-N
XLogP0.00
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.11
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ether, isobutyl methyl
CID 12250
1-Ethoxy-2-methylpropane
CID 69386
1-Propanol, 2-methyl-, potassium salt (1:1)
CID 23673033
Sodium isobutoxide
CID 23673704
CID 5489517
CID 5489517
2,2-Dimethylpropan-1-olate
CID 12555050
Isobutyl silyl ether
CID 17915054
i-Butoxylithium
CID 23695069
Magnesium;2-methylpropan-1-olate;bromide
CID 135077954
Ammonium 2-methylpropanolate
CID 3019949
Magnesium;2-methylpropan-1-olate;chloride
CID 14418996
2-Methylpropyl hypofluorite
CID 19001109

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-olate?
The IUPAC name of 2-methylpropan-1-olate (CID 3594982) is 2-methylpropan-1-olate.
What is the SMILES notation for 2-methylpropan-1-olate?
The canonical SMILES for 2-methylpropan-1-olate is CC(C)C[O-].
What is the InChIKey of 2-methylpropan-1-olate?
The InChIKey is KKTIUPFFKCQPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O/c1-4(2)3-5/h4H,3H2,1-2H3/q-1.
What are the key properties of 2-methylpropan-1-olate?
2-methylpropan-1-olate has a molecular weight of 73.11 g/mol, XLogP of 0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-olate is sourced from PubChem (CID 3594982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).