acetic acid;gadolinium;hexahydrate

C2H16GdO8 — CID 174991979

IUPACacetic acid;gadolinium;hexahydrate
SMILESCC(=O)O.O.O.O.O.O.O.[Gd]
InChIInChI=1S/C2H4O2.Gd.6H2O/c1-2(3)4;;;;;;;/h1H3,(H,3,4);;6*1H2
InChIKeyKBSKFHBHBITBMO-UHFFFAOYSA-N
MW325.39 g/mol
LogP-4.86
Rot. Bonds

About acetic acid;gadolinium;hexahydrate

acetic acid;gadolinium;hexahydrate (PubChem CID 174991979) has the molecular formula C2H16GdO8 and a molecular weight of 325.39 g/mol. Its IUPAC name is acetic acid;gadolinium;hexahydrate.

Molecular Properties

Compound Nameacetic acid;gadolinium;hexahydrate
PubChem CID174991979
Molecular FormulaC2H16GdO8
Molecular Weight325.39 g/mol
Exact Mass326.01
IUPAC Nameacetic acid;gadolinium;hexahydrate
SMILESCC(=O)O.O.O.O.O.O.O.[Gd]
InChIInChI=1S/C2H4O2.Gd.6H2O/c1-2(3)4;;;;;;;/h1H3,(H,3,4);;6*1H2
InChIKeyKBSKFHBHBITBMO-UHFFFAOYSA-N
XLogP-4.86
TPSA226.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 5-4.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze acetic acid;gadolinium;hexahydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;decahydrate
CID 163997764
acetic acid;methanol
CID 173388753
acetic acid;chloromethane;methanol;hydrate
CID 174924395
acetic acid;manganese;tetrahydrate
CID 178069783
acetic acid;yttrium;pentahydrate
CID 172997379
acetic acid;chromium;tetrahydrate
CID 173392510
acetic acid;hydrate;hydrobromide
CID 88815533
acetic acid;iron;hexahydrate
CID 171714614
CID 173007307
CID 173007307
acetic acid;zinc;trihydrate
CID 173017451
acetic acid;terbium;dihydrate
CID 133188352
acetic acid;copper;tetrahydrate
CID 174987163

Frequently Asked Questions

What is the IUPAC name of acetic acid;gadolinium;hexahydrate?
The IUPAC name of acetic acid;gadolinium;hexahydrate (CID 174991979) is acetic acid;gadolinium;hexahydrate.
What is the SMILES notation for acetic acid;gadolinium;hexahydrate?
The canonical SMILES for acetic acid;gadolinium;hexahydrate is CC(=O)O.O.O.O.O.O.O.[Gd].
What is the InChIKey of acetic acid;gadolinium;hexahydrate?
The InChIKey is KBSKFHBHBITBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.Gd.6H2O/c1-2(3)4;;;;;;;/h1H3,(H,3,4);;6*1H2.
What are the key properties of acetic acid;gadolinium;hexahydrate?
acetic acid;gadolinium;hexahydrate has a molecular weight of 325.39 g/mol, XLogP of -4.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;gadolinium;hexahydrate is sourced from PubChem (CID 174991979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).