neodymium(3+);tris(2,3,3-trimethyl-2-propan-2-ylbutanoate)

C30H57NdO6 — CID 11319795

IUPACneodymium(3+);tris(2,3,3-trimethyl-2-propan-2-ylbutanoate)
SMILESCC(C)C(C)(C(=O)[O-])C(C)(C)C.CC(C)C(C)(C(=O)[O-])C(C)(C)C.CC(C)C(C)(C(=O)[O-])C(C)(C)C.[Nd+3]
InChIInChI=1S/3C10H20O2.Nd/c3*1-7(2)10(6,8(11)12)9(3,4)5;/h3*7H,1-6H3,(H,11,12);/q;;;+3/p-3
InChIKeyVHYIRUBNHQVJED-UHFFFAOYSA-K
MW658.02 g/mol
LogP4.33
Rot. Bonds6

About neodymium(3+);tris(2,3,3-trimethyl-2-propan-2-ylbutanoate)

neodymium(3+);tris(2,3,3-trimethyl-2-propan-2-ylbutanoate) (PubChem CID 11319795) has the molecular formula C30H57NdO6 and a molecular weight of 658.02 g/mol. Its IUPAC name is neodymium(3+);tris(2,3,3-trimethyl-2-propan-2-ylbutanoate).

Molecular Properties

Compound Nameneodymium(3+);tris(2,3,3-trimethyl-2-propan-2-ylbutanoate)
PubChem CID11319795
Molecular FormulaC30H57NdO6
Molecular Weight658.02 g/mol
Exact Mass655.32
IUPAC Nameneodymium(3+);tris(2,3,3-trimethyl-2-propan-2-ylbutanoate)
SMILESCC(C)C(C)(C(=O)[O-])C(C)(C)C.CC(C)C(C)(C(=O)[O-])C(C)(C)C.CC(C)C(C)(C(=O)[O-])C(C)(C)C.[Nd+3]
InChIInChI=1S/3C10H20O2.Nd/c3*1-7(2)10(6,8(11)12)9(3,4)5;/h3*7H,1-6H3,(H,11,12);/q;;;+3/p-3
InChIKeyVHYIRUBNHQVJED-UHFFFAOYSA-K
XLogP4.33
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500658.02
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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(2S)-2-hydroxy-3-methylbutan-2-olate
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2,2-dichloropropanoate;propan-2-ylazanium
CID 517027
2,3,3-trimethylbutanoate
CID 18945621
aluminum tris((2R)-2-hydroxypropanoate)
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Frequently Asked Questions

What is the IUPAC name of neodymium(3+);tris(2,3,3-trimethyl-2-propan-2-ylbutanoate)?
The IUPAC name of neodymium(3+);tris(2,3,3-trimethyl-2-propan-2-ylbutanoate) (CID 11319795) is neodymium(3+);tris(2,3,3-trimethyl-2-propan-2-ylbutanoate).
What is the SMILES notation for neodymium(3+);tris(2,3,3-trimethyl-2-propan-2-ylbutanoate)?
The canonical SMILES for neodymium(3+);tris(2,3,3-trimethyl-2-propan-2-ylbutanoate) is CC(C)C(C)(C(=O)[O-])C(C)(C)C.CC(C)C(C)(C(=O)[O-])C(C)(C)C.CC(C)C(C)(C(=O)[O-])C(C)(C)C.[Nd+3].
What is the InChIKey of neodymium(3+);tris(2,3,3-trimethyl-2-propan-2-ylbutanoate)?
The InChIKey is VHYIRUBNHQVJED-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H20O2.Nd/c3*1-7(2)10(6,8(11)12)9(3,4)5;/h3*7H,1-6H3,(H,11,12);/q;;;+3/p-3.
What are the key properties of neodymium(3+);tris(2,3,3-trimethyl-2-propan-2-ylbutanoate)?
neodymium(3+);tris(2,3,3-trimethyl-2-propan-2-ylbutanoate) has a molecular weight of 658.02 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for neodymium(3+);tris(2,3,3-trimethyl-2-propan-2-ylbutanoate) is sourced from PubChem (CID 11319795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).