sodium;propan-2-ol;hydroxide

C3H9NaO2 — CID 87652802

IUPACsodium;propan-2-ol;hydroxide
SMILESCC(C)O.[Na+].[OH-]
InChIInChI=1S/C3H8O.Na.H2O/c1-3(2)4;;/h3-4H,1-2H3;;1H2/q;+1;/p-1
InChIKeyJYGQNQHGQBEFJQ-UHFFFAOYSA-M
MW100.09 g/mol
LogP-2.79
Rot. Bonds

About sodium;propan-2-ol;hydroxide

sodium;propan-2-ol;hydroxide (PubChem CID 87652802) has the molecular formula C3H9NaO2 and a molecular weight of 100.09 g/mol. Its IUPAC name is sodium;propan-2-ol;hydroxide.

Molecular Properties

Compound Namesodium;propan-2-ol;hydroxide
PubChem CID87652802
Molecular FormulaC3H9NaO2
Molecular Weight100.09 g/mol
Exact Mass100.05
IUPAC Namesodium;propan-2-ol;hydroxide
SMILESCC(C)O.[Na+].[OH-]
InChIInChI=1S/C3H8O.Na.H2O/c1-3(2)4;;/h3-4H,1-2H3;;1H2/q;+1;/p-1
InChIKeyJYGQNQHGQBEFJQ-UHFFFAOYSA-M
XLogP-2.79
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.09
LogP ≤ 5-2.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 85354423
Indium(III) isopropoxide
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CID 131857540
propan-2-ol;titanium
CID 25200171
ethane;tetrakis(propan-2-ol)
CID 174681393
niobium;tris(propan-2-ol)
CID 140526066
methanol;pentakis(propan-2-ol)
CID 19010899
cerium;tetrakis(propan-2-ol)
CID 87109563
holmium;tris(propan-2-ol)
CID 102601028
tetrakis(propan-2-ol);thulium
CID 174050117

Frequently Asked Questions

What is the IUPAC name of sodium;propan-2-ol;hydroxide?
The IUPAC name of sodium;propan-2-ol;hydroxide (CID 87652802) is sodium;propan-2-ol;hydroxide.
What is the SMILES notation for sodium;propan-2-ol;hydroxide?
The canonical SMILES for sodium;propan-2-ol;hydroxide is CC(C)O.[Na+].[OH-].
What is the InChIKey of sodium;propan-2-ol;hydroxide?
The InChIKey is JYGQNQHGQBEFJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O.Na.H2O/c1-3(2)4;;/h3-4H,1-2H3;;1H2/q;+1;/p-1.
What are the key properties of sodium;propan-2-ol;hydroxide?
sodium;propan-2-ol;hydroxide has a molecular weight of 100.09 g/mol, XLogP of -2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;propan-2-ol;hydroxide is sourced from PubChem (CID 87652802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).