propan-2-olate;thallium(1+)

C3H7OTl — CID 25087077

IUPACpropan-2-olate;thallium(1+)
SMILESCC(C)[O-].[Tl+]
InChIInChI=1S/C3H7O.Tl/c1-3(2)4;/h3H,1-2H3;/q-1;+1
InChIKeyXRZWCXPPVXLYPE-UHFFFAOYSA-N
MW263.47 g/mol
LogP-0.63
Rot. Bonds

About propan-2-olate;thallium(1+)

propan-2-olate;thallium(1+) (PubChem CID 25087077) has the molecular formula C3H7OTl and a molecular weight of 263.47 g/mol. Its IUPAC name is propan-2-olate;thallium(1+).

Molecular Properties

Compound Namepropan-2-olate;thallium(1+)
PubChem CID25087077
Molecular FormulaC3H7OTl
Molecular Weight263.47 g/mol
Exact Mass264.02
IUPAC Namepropan-2-olate;thallium(1+)
SMILESCC(C)[O-].[Tl+]
InChIInChI=1S/C3H7O.Tl/c1-3(2)4;/h3H,1-2H3;/q-1;+1
InChIKeyXRZWCXPPVXLYPE-UHFFFAOYSA-N
XLogP-0.63
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Propanol, sodium salt (1:1)
CID 10920443
Potassium propan-2-olate
CID 23663646
Lithium propan-2-olate
CID 23673350
Isopropanolate
CID 3260420
1-Methyl ethoxy radical
CID 138083
Isopropyl hypochlorite
CID 12936775
Isopropoxygallium dihydride
CID 66545827
Isopropyl hypobromite
CID 129764657
Propan-2-yl hypofluorite
CID 18679080
Magnesium propan-2-olate
CID 44147213
Copper(1+);propan-2-olate
CID 14440349
CID 16714480
CID 16714480

Frequently Asked Questions

What is the IUPAC name of propan-2-olate;thallium(1+)?
The IUPAC name of propan-2-olate;thallium(1+) (CID 25087077) is propan-2-olate;thallium(1+).
What is the SMILES notation for propan-2-olate;thallium(1+)?
The canonical SMILES for propan-2-olate;thallium(1+) is CC(C)[O-].[Tl+].
What is the InChIKey of propan-2-olate;thallium(1+)?
The InChIKey is XRZWCXPPVXLYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O.Tl/c1-3(2)4;/h3H,1-2H3;/q-1;+1.
What are the key properties of propan-2-olate;thallium(1+)?
propan-2-olate;thallium(1+) has a molecular weight of 263.47 g/mol, XLogP of -0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-olate;thallium(1+) is sourced from PubChem (CID 25087077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).