propan-2-olate

C3H7O- — CID 3260420

IUPACpropan-2-olate
SMILESCC(C)[O-]
InChIInChI=1S/C3H7O/c1-3(2)4/h3H,1-2H3/q-1
InChIKeyOGHBATFHNDZKSO-UHFFFAOYSA-N
MW59.09 g/mol
LogP-0.24
Rot. Bonds

About propan-2-olate

propan-2-olate (PubChem CID 3260420) has the molecular formula C3H7O- and a molecular weight of 59.09 g/mol. Its IUPAC name is propan-2-olate.

Molecular Properties

Compound Namepropan-2-olate
PubChem CID3260420
Molecular FormulaC3H7O-
Molecular Weight59.09 g/mol
Exact Mass59.05
IUPAC Namepropan-2-olate
SMILESCC(C)[O-]
InChIInChI=1S/C3H7O/c1-3(2)4/h3H,1-2H3/q-1
InChIKeyOGHBATFHNDZKSO-UHFFFAOYSA-N
XLogP-0.24
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50059.09
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propan-2-olate?
The IUPAC name of propan-2-olate (CID 3260420) is propan-2-olate.
What is the SMILES notation for propan-2-olate?
The canonical SMILES for propan-2-olate is CC(C)[O-].
What is the InChIKey of propan-2-olate?
The InChIKey is OGHBATFHNDZKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O/c1-3(2)4/h3H,1-2H3/q-1.
What are the key properties of propan-2-olate?
propan-2-olate has a molecular weight of 59.09 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-olate is sourced from PubChem (CID 3260420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).