azanide;bis(2-methylpropane);2,2,5,5-tetramethylhexan-3-one;2,2,5,5-tetramethylhexan-3-ylideneazanide;bis(yttrium)

C28H60N2OY2-4 — CID 158320075

IUPACazanide;bis(2-methylpropane);2,2,5,5-tetramethylhexan-3-one;2,2,5,5-tetramethylhexan-3-ylideneazanide;bis(yttrium)
SMILESCC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(=[N-])C(C)(C)C.C[C-](C)C.C[C-](C)C.[NH2-].[Y].[Y]
InChIInChI=1S/C10H20N.C10H20O.2C4H9.H2N.2Y/c2*1-9(2,3)7-8(11)10(4,5)6;2*1-4(2)3;;;/h2*7H2,1-6H3;2*1-3H3;1H2;;/q-1;;3*-1;;
InChIKeyMSFAAWFGLRJNRD-UHFFFAOYSA-N
MW618.61 g/mol
LogP10.47
Rot. Bonds2

About azanide;bis(2-methylpropane);2,2,5,5-tetramethylhexan-3-one;2,2,5,5-tetramethylhexan-3-ylideneazanide;bis(yttrium)

azanide;bis(2-methylpropane);2,2,5,5-tetramethylhexan-3-one;2,2,5,5-tetramethylhexan-3-ylideneazanide;bis(yttrium) (PubChem CID 158320075) has the molecular formula C28H60N2OY2-4 and a molecular weight of 618.61 g/mol. Its IUPAC name is azanide;bis(2-methylpropane);2,2,5,5-tetramethylhexan-3-one;2,2,5,5-tetramethylhexan-3-ylideneazanide;bis(yttrium).

Molecular Properties

Compound Nameazanide;bis(2-methylpropane);2,2,5,5-tetramethylhexan-3-one;2,2,5,5-tetramethylhexan-3-ylideneazanide;bis(yttrium)
PubChem CID158320075
Molecular FormulaC28H60N2OY2-4
Molecular Weight618.61 g/mol
Exact Mass618.28
IUPAC Nameazanide;bis(2-methylpropane);2,2,5,5-tetramethylhexan-3-one;2,2,5,5-tetramethylhexan-3-ylideneazanide;bis(yttrium)
SMILESCC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(=[N-])C(C)(C)C.C[C-](C)C.C[C-](C)C.[NH2-].[Y].[Y]
InChIInChI=1S/C10H20N.C10H20O.2C4H9.H2N.2Y/c2*1-9(2,3)7-8(11)10(4,5)6;2*1-4(2)3;;;/h2*7H2,1-6H3;2*1-3H3;1H2;;/q-1;;3*-1;;
InChIKeyMSFAAWFGLRJNRD-UHFFFAOYSA-N
XLogP10.47
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.61
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methane;2,2,5,5-tetramethylhexan-3-one;2,2,7,7-tetramethyloctane-3,6-dione;2,2,4,4-tetramethylpentan-3-one
CID 160545510
methane;2,2,5,5-tetramethylhexan-3-one;(E)-2,2,5,5-tetramethylhex-3-en-3-ol
CID 158142695
3,3-dimethyl-1-silylbutan-1-one
CID 154090082
3,3-dimethylbutanoic acid;yttrium
CID 59798482
2-methoxy-2,5,5-trimethylhexan-3-one
CID 159398814
(2R)-2-hydroxy-2,5,5-trimethyl-4-oxohexanoic acid
CID 97161827
1-tert-butylsulfonyl-2,2-dimethylpropane;2-tert-butylsulfonyl-2-methylpropane;2,2,5,5-tetramethylhexan-3-one;2,2,4,4-tetramethylpentan-3-one
CID 160958821
6-hydroxy-2,2,5,5-tetramethylheptan-3-one
CID 129106524
5-hydroxy-2,2,5,6-tetramethylheptan-3-one
CID 134924643
praseodymium;2,2,6,6-tetramethylheptane-3,5-dione
CID 139531007
calcium 2,2,6,6-tetramethylheptane-3,5-dione
CID 21192278
1-(2,2-dimethylpropylsulfanyl)-4,4-dimethylpentan-2-one
CID 158276182

Frequently Asked Questions

What is the IUPAC name of azanide;bis(2-methylpropane);2,2,5,5-tetramethylhexan-3-one;2,2,5,5-tetramethylhexan-3-ylideneazanide;bis(yttrium)?
The IUPAC name of azanide;bis(2-methylpropane);2,2,5,5-tetramethylhexan-3-one;2,2,5,5-tetramethylhexan-3-ylideneazanide;bis(yttrium) (CID 158320075) is azanide;bis(2-methylpropane);2,2,5,5-tetramethylhexan-3-one;2,2,5,5-tetramethylhexan-3-ylideneazanide;bis(yttrium).
What is the SMILES notation for azanide;bis(2-methylpropane);2,2,5,5-tetramethylhexan-3-one;2,2,5,5-tetramethylhexan-3-ylideneazanide;bis(yttrium)?
The canonical SMILES for azanide;bis(2-methylpropane);2,2,5,5-tetramethylhexan-3-one;2,2,5,5-tetramethylhexan-3-ylideneazanide;bis(yttrium) is CC(C)(C)CC(=O)C(C)(C)C.CC(C)(C)CC(=[N-])C(C)(C)C.C[C-](C)C.C[C-](C)C.[NH2-].[Y].[Y].
What is the InChIKey of azanide;bis(2-methylpropane);2,2,5,5-tetramethylhexan-3-one;2,2,5,5-tetramethylhexan-3-ylideneazanide;bis(yttrium)?
The InChIKey is MSFAAWFGLRJNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N.C10H20O.2C4H9.H2N.2Y/c2*1-9(2,3)7-8(11)10(4,5)6;2*1-4(2)3;;;/h2*7H2,1-6H3;2*1-3H3;1H2;;/q-1;;3*-1;;.
What are the key properties of azanide;bis(2-methylpropane);2,2,5,5-tetramethylhexan-3-one;2,2,5,5-tetramethylhexan-3-ylideneazanide;bis(yttrium)?
azanide;bis(2-methylpropane);2,2,5,5-tetramethylhexan-3-one;2,2,5,5-tetramethylhexan-3-ylideneazanide;bis(yttrium) has a molecular weight of 618.61 g/mol, XLogP of 10.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;bis(2-methylpropane);2,2,5,5-tetramethylhexan-3-one;2,2,5,5-tetramethylhexan-3-ylideneazanide;bis(yttrium) is sourced from PubChem (CID 158320075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).