bis(gadolinium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate)

C33H66Gd2O6 — CID 173170111

IUPACbis(gadolinium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate)
SMILESCC(C)(C)C([O-])CC([O-])C(C)(C)C.CC(C)(C)C([O-])CC([O-])C(C)(C)C.CC(C)(C)C([O-])CC([O-])C(C)(C)C.[Gd+3].[Gd+3]
InChIInChI=1S/3C11H22O2.2Gd/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h3*8-9H,7H2,1-6H3;;/q3*-2;2*+3
InChIKeyFSPZKDGUROTHIM-UHFFFAOYSA-N
MW873.38 g/mol
LogP2.78
Rot. Bonds6

About bis(gadolinium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate)

bis(gadolinium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate) (PubChem CID 173170111) has the molecular formula C33H66Gd2O6 and a molecular weight of 873.38 g/mol. Its IUPAC name is bis(gadolinium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate).

Molecular Properties

Compound Namebis(gadolinium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate)
PubChem CID173170111
Molecular FormulaC33H66Gd2O6
Molecular Weight873.38 g/mol
Exact Mass874.33
IUPAC Namebis(gadolinium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate)
SMILESCC(C)(C)C([O-])CC([O-])C(C)(C)C.CC(C)(C)C([O-])CC([O-])C(C)(C)C.CC(C)(C)C([O-])CC([O-])C(C)(C)C.[Gd+3].[Gd+3]
InChIInChI=1S/3C11H22O2.2Gd/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h3*8-9H,7H2,1-6H3;;/q3*-2;2*+3
InChIKeyFSPZKDGUROTHIM-UHFFFAOYSA-N
XLogP2.78
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500873.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis(erbium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate)
CID 173169737
propan-2-olate;2,2,6,6-tetramethylheptane-3,5-diolate;yttrium(3+)
CID 174304970
3,3-dimethylbutan-2-olate
CID 59342742
3-tert-butyl-2,2-dimethylhexane
CID 53428784
CID 175352105
CID 175352105
1-(2-tert-butyl-3,3-dimethylbutyl)-4-methylpiperazine
CID 176871085
molybdenum;hexakis(propan-2-olate)
CID 138991740
bis((3,4-ditert-butyl-5,5-dimethylhexan-4-yl)phosphane);palladium
CID 87443818
bis(dysprosium(3+));tris(pentane-2,4-diolate)
CID 173131717
bis(chromium(3+));tris(pentane-2,4-diolate)
CID 173281053
2-methylpentane-2,4-diolate
CID 12685362
N-(2-methylpentan-2-yl)-N-propan-2-ylhydroxylamine
CID 142951346

Frequently Asked Questions

What is the IUPAC name of bis(gadolinium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate)?
The IUPAC name of bis(gadolinium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate) (CID 173170111) is bis(gadolinium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate).
What is the SMILES notation for bis(gadolinium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate)?
The canonical SMILES for bis(gadolinium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate) is CC(C)(C)C([O-])CC([O-])C(C)(C)C.CC(C)(C)C([O-])CC([O-])C(C)(C)C.CC(C)(C)C([O-])CC([O-])C(C)(C)C.[Gd+3].[Gd+3].
What is the InChIKey of bis(gadolinium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate)?
The InChIKey is FSPZKDGUROTHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H22O2.2Gd/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;;/h3*8-9H,7H2,1-6H3;;/q3*-2;2*+3.
What are the key properties of bis(gadolinium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate)?
bis(gadolinium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate) has a molecular weight of 873.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(gadolinium(3+));tris(2,2,6,6-tetramethylheptane-3,5-diolate) is sourced from PubChem (CID 173170111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).