propan-1-olate

C3H7O- — CID 12543515

IUPACpropan-1-olate
SMILESCCC[O-]
InChIInChI=1S/C3H7O/c1-2-3-4/h2-3H2,1H3/q-1
InChIKeyIKNCGYCHMGNBCP-UHFFFAOYSA-N
MW59.09 g/mol
LogP-0.24
Rot. Bonds1

About propan-1-olate

propan-1-olate (PubChem CID 12543515) has the molecular formula C3H7O- and a molecular weight of 59.09 g/mol. Its IUPAC name is propan-1-olate.

Molecular Properties

Compound Namepropan-1-olate
PubChem CID12543515
Molecular FormulaC3H7O-
Molecular Weight59.09 g/mol
Exact Mass59.05
IUPAC Namepropan-1-olate
SMILESCCC[O-]
InChIInChI=1S/C3H7O/c1-2-3-4/h2-3H2,1H3/q-1
InChIKeyIKNCGYCHMGNBCP-UHFFFAOYSA-N
XLogP-0.24
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

1-Hydroxyethyl radical
CID 119440
1-Propanol, sodium salt (1:1)
CID 23669363
Isopropanolate
CID 3260420
Ethoxy radical
CID 137452
1-Methyl ethoxy radical
CID 138083
n-Propoxy radical
CID 140098
Hypochlorous acid, propyl ester
CID 10986156
Propoxysilane
CID 13783508
Brompropylate
CID 20226729
Lithium propoxide
CID 23694592
Potassium;propan-1-olate
CID 23710234
Propoxygermane
CID 87675468

Frequently Asked Questions

What is the IUPAC name of propan-1-olate?
The IUPAC name of propan-1-olate (CID 12543515) is propan-1-olate.
What is the SMILES notation for propan-1-olate?
The canonical SMILES for propan-1-olate is CCC[O-].
What is the InChIKey of propan-1-olate?
The InChIKey is IKNCGYCHMGNBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O/c1-2-3-4/h2-3H2,1H3/q-1.
What are the key properties of propan-1-olate?
propan-1-olate has a molecular weight of 59.09 g/mol, XLogP of -0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-olate is sourced from PubChem (CID 12543515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).