sodium propan-2-olate

C3H7NaO — CID 10920443

IUPACsodium propan-2-olate
SMILESCC(C)[O-].[Na+]
InChIInChI=1S/C3H7O.Na/c1-3(2)4;/h3H,1-2H3;/q-1;+1
InChIKeyWBQTXTBONIWRGK-UHFFFAOYSA-N
MW82.08 g/mol
LogP-3.24
Rot. Bonds

About sodium propan-2-olate

sodium propan-2-olate (PubChem CID 10920443) has the molecular formula C3H7NaO and a molecular weight of 82.08 g/mol. Its IUPAC name is sodium propan-2-olate.

Molecular Properties

Compound Namesodium propan-2-olate
PubChem CID10920443
Molecular FormulaC3H7NaO
Molecular Weight82.08 g/mol
Exact Mass82.04
IUPAC Namesodium propan-2-olate
SMILESCC(C)[O-].[Na+]
InChIInChI=1S/C3H7O.Na/c1-3(2)4;/h3H,1-2H3;/q-1;+1
InChIKeyWBQTXTBONIWRGK-UHFFFAOYSA-N
XLogP-3.24
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.08
LogP ≤ 5-3.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium propan-2-olate?
The IUPAC name of sodium propan-2-olate (CID 10920443) is sodium propan-2-olate.
What is the SMILES notation for sodium propan-2-olate?
The canonical SMILES for sodium propan-2-olate is CC(C)[O-].[Na+].
What is the InChIKey of sodium propan-2-olate?
The InChIKey is WBQTXTBONIWRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O.Na/c1-3(2)4;/h3H,1-2H3;/q-1;+1.
What are the key properties of sodium propan-2-olate?
sodium propan-2-olate has a molecular weight of 82.08 g/mol, XLogP of -3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium propan-2-olate is sourced from PubChem (CID 10920443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).