2-methyl-4-oxopentan-2-olate

C6H11O2- — CID 101443169

IUPAC2-methyl-4-oxopentan-2-olate
SMILESCC(=O)CC(C)(C)[O-]
InChIInChI=1S/C6H11O2/c1-5(7)4-6(2,3)8/h4H2,1-3H3/q-1
InChIKeyUEGRKVSWAZNSCX-UHFFFAOYSA-N
MW115.15 g/mol
LogP0.10
Rot. Bonds2

About 2-methyl-4-oxopentan-2-olate

2-methyl-4-oxopentan-2-olate (PubChem CID 101443169) has the molecular formula C6H11O2- and a molecular weight of 115.15 g/mol. Its IUPAC name is 2-methyl-4-oxopentan-2-olate.

Molecular Properties

Compound Name2-methyl-4-oxopentan-2-olate
PubChem CID101443169
Molecular FormulaC6H11O2-
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name2-methyl-4-oxopentan-2-olate
SMILESCC(=O)CC(C)(C)[O-]
InChIInChI=1S/C6H11O2/c1-5(7)4-6(2,3)8/h4H2,1-3H3/q-1
InChIKeyUEGRKVSWAZNSCX-UHFFFAOYSA-N
XLogP0.10
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,5,5-tetramethyloctane-2,7-dione
CID 28679
4-hydroxy-4-methylpentan-2-one
CID 87257073
CID 159178711
CID 159178711
4,4-bis(2-oxopropyl)heptane-2,6-dione
CID 118031605
3-acetyl-3-methylhexane-2,5-dione
CID 12571378
4-amino-4-methylpentan-2-one;ethane
CID 142087513
sodium;4-hydroxy-4-methylpentan-2-one;chloride
CID 174855512
3-oxo-1,1-diphenylbutan-1-olate
CID 101443170
4-hydroxy-4-methylpentan-2-one;methoxymethane
CID 87184803
4-fluoro-4-methylhexan-2-one
CID 126626777
3,3-dimethyl-5-oxohexanoic acid
CID 11332610
3,3-diacetylhexane-2,5-dione;palladium(2+)
CID 21417779

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxopentan-2-olate?
The IUPAC name of 2-methyl-4-oxopentan-2-olate (CID 101443169) is 2-methyl-4-oxopentan-2-olate.
What is the SMILES notation for 2-methyl-4-oxopentan-2-olate?
The canonical SMILES for 2-methyl-4-oxopentan-2-olate is CC(=O)CC(C)(C)[O-].
What is the InChIKey of 2-methyl-4-oxopentan-2-olate?
The InChIKey is UEGRKVSWAZNSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2/c1-5(7)4-6(2,3)8/h4H2,1-3H3/q-1.
What are the key properties of 2-methyl-4-oxopentan-2-olate?
2-methyl-4-oxopentan-2-olate has a molecular weight of 115.15 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxopentan-2-olate is sourced from PubChem (CID 101443169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).