pentan-3-olate

C5H11O- — CID 20641307

IUPACpentan-3-olate
SMILESCCC([O-])CC
InChIInChI=1S/C5H11O/c1-3-5(6)4-2/h5H,3-4H2,1-2H3/q-1
InChIKeyOHMUFQGKBPICGC-UHFFFAOYSA-N
MW87.14 g/mol
LogP0.54
Rot. Bonds2

About pentan-3-olate

pentan-3-olate (PubChem CID 20641307) has the molecular formula C5H11O- and a molecular weight of 87.14 g/mol. Its IUPAC name is pentan-3-olate.

Molecular Properties

Compound Namepentan-3-olate
PubChem CID20641307
Molecular FormulaC5H11O-
Molecular Weight87.14 g/mol
Exact Mass87.08
IUPAC Namepentan-3-olate
SMILESCCC([O-])CC
InChIInChI=1S/C5H11O/c1-3-5(6)4-2/h5H,3-4H2,1-2H3/q-1
InChIKeyOHMUFQGKBPICGC-UHFFFAOYSA-N
XLogP0.54
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

2-Methoxypropane
CID 11721
2-Methoxybutane
CID 23238
2-Methoxypentane
CID 522287
3-Methoxypentane
CID 37545
3-Pentyl hydroperoxide
CID 141086
3-Ethoxypentane
CID 37521
CID 19889919
CID 19889919
Sodium butan-2-olate
CID 23663649
Sodium 3-pentoxide
CID 23676382
Lithium 1-ethylpropoxide
CID 23664307
Lithium s-butoxide
CID 23689932
Potassium 1-methylpropoxide
CID 23694743

Frequently Asked Questions

What is the IUPAC name of pentan-3-olate?
The IUPAC name of pentan-3-olate (CID 20641307) is pentan-3-olate.
What is the SMILES notation for pentan-3-olate?
The canonical SMILES for pentan-3-olate is CCC([O-])CC.
What is the InChIKey of pentan-3-olate?
The InChIKey is OHMUFQGKBPICGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O/c1-3-5(6)4-2/h5H,3-4H2,1-2H3/q-1.
What are the key properties of pentan-3-olate?
pentan-3-olate has a molecular weight of 87.14 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-olate is sourced from PubChem (CID 20641307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).