gadolinium;methanol

C3H12GdO3 — CID 118647250

IUPACgadolinium;methanol
SMILESCO.CO.CO.[Gd]
InChIInChI=1S/3CH4O.Gd/c3*1-2;/h3*2H,1H3;
InChIKeyQPPDTAPYIGXAIE-UHFFFAOYSA-N
MW253.38 g/mol
LogP-1.17
Rot. Bonds

About gadolinium;methanol

gadolinium;methanol (PubChem CID 118647250) has the molecular formula C3H12GdO3 and a molecular weight of 253.38 g/mol. Its IUPAC name is gadolinium;methanol.

Molecular Properties

Compound Namegadolinium;methanol
PubChem CID118647250
Molecular FormulaC3H12GdO3
Molecular Weight253.38 g/mol
Exact Mass254.00
IUPAC Namegadolinium;methanol
SMILESCO.CO.CO.[Gd]
InChIInChI=1S/3CH4O.Gd/c3*1-2;/h3*2H,1H3;
InChIKeyQPPDTAPYIGXAIE-UHFFFAOYSA-N
XLogP-1.17
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.38
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of gadolinium;methanol?
The IUPAC name of gadolinium;methanol (CID 118647250) is gadolinium;methanol.
What is the SMILES notation for gadolinium;methanol?
The canonical SMILES for gadolinium;methanol is CO.CO.CO.[Gd].
What is the InChIKey of gadolinium;methanol?
The InChIKey is QPPDTAPYIGXAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH4O.Gd/c3*1-2;/h3*2H,1H3;.
What are the key properties of gadolinium;methanol?
gadolinium;methanol has a molecular weight of 253.38 g/mol, XLogP of -1.17, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for gadolinium;methanol is sourced from PubChem (CID 118647250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).