sodium;propan-2-one;toluene;hydroxide

C10H15NaO2 — CID 174689078

IUPACsodium;propan-2-one;toluene;hydroxide
SMILESCC(C)=O.Cc1ccccc1.[Na+].[OH-]
InChIInChI=1S/C7H8.C3H6O.Na.H2O/c1-7-5-3-2-4-6-7;1-3(2)4;;/h2-6H,1H3;1-2H3;;1H2/q;;+1;/p-1
InChIKeyAADPBEWNPUDMRH-UHFFFAOYSA-M
MW190.22 g/mol
LogP-0.58
Rot. Bonds

About sodium;propan-2-one;toluene;hydroxide

sodium;propan-2-one;toluene;hydroxide (PubChem CID 174689078) has the molecular formula C10H15NaO2 and a molecular weight of 190.22 g/mol. Its IUPAC name is sodium;propan-2-one;toluene;hydroxide.

Molecular Properties

Compound Namesodium;propan-2-one;toluene;hydroxide
PubChem CID174689078
Molecular FormulaC10H15NaO2
Molecular Weight190.22 g/mol
Exact Mass190.10
IUPAC Namesodium;propan-2-one;toluene;hydroxide
SMILESCC(C)=O.Cc1ccccc1.[Na+].[OH-]
InChIInChI=1S/C7H8.C3H6O.Na.H2O/c1-7-5-3-2-4-6-7;1-3(2)4;;/h2-6H,1H3;1-2H3;;1H2/q;;+1;/p-1
InChIKeyAADPBEWNPUDMRH-UHFFFAOYSA-M
XLogP-0.58
TPSA47.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium;propan-2-one;toluene;hydroxide?
The IUPAC name of sodium;propan-2-one;toluene;hydroxide (CID 174689078) is sodium;propan-2-one;toluene;hydroxide.
What is the SMILES notation for sodium;propan-2-one;toluene;hydroxide?
The canonical SMILES for sodium;propan-2-one;toluene;hydroxide is CC(C)=O.Cc1ccccc1.[Na+].[OH-].
What is the InChIKey of sodium;propan-2-one;toluene;hydroxide?
The InChIKey is AADPBEWNPUDMRH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8.C3H6O.Na.H2O/c1-7-5-3-2-4-6-7;1-3(2)4;;/h2-6H,1H3;1-2H3;;1H2/q;;+1;/p-1.
What are the key properties of sodium;propan-2-one;toluene;hydroxide?
sodium;propan-2-one;toluene;hydroxide has a molecular weight of 190.22 g/mol, XLogP of -0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;propan-2-one;toluene;hydroxide is sourced from PubChem (CID 174689078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).