carbanide;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium)

C16H31O4W2Y2-5 — CID 159525962

IUPACcarbanide;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium)
SMILESC.[CH-]=O.[CH-]=O.[CH2-]C(=O)CC(C)C.[CH2-]C(=O)CC(C)C.[CH3-].[W].[W].[Y].[Y]
InChIInChI=1S/2C6H11O.2CHO.CH4.CH3.2W.2Y/c2*1-5(2)4-6(3)7;2*1-2;;;;;;/h2*5H,3-4H2,1-2H3;2*1H;1H4;1H3;;;;/q4*-1;;-1;;;;
InChIKeyUHPHXINPRWATSC-UHFFFAOYSA-N
MW832.91 g/mol
LogP3.40
Rot. Bonds4

About carbanide;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium)

carbanide;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium) (PubChem CID 159525962) has the molecular formula C16H31O4W2Y2-5 and a molecular weight of 832.91 g/mol. Its IUPAC name is carbanide;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium).

Molecular Properties

Compound Namecarbanide;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium)
PubChem CID159525962
Molecular FormulaC16H31O4W2Y2-5
Molecular Weight832.91 g/mol
Exact Mass832.94
IUPAC Namecarbanide;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium)
SMILESC.[CH-]=O.[CH-]=O.[CH2-]C(=O)CC(C)C.[CH2-]C(=O)CC(C)C.[CH3-].[W].[W].[Y].[Y]
InChIInChI=1S/2C6H11O.2CHO.CH4.CH3.2W.2Y/c2*1-5(2)4-6(3)7;2*1-2;;;;;;/h2*5H,3-4H2,1-2H3;2*1H;1H4;1H3;;;;/q4*-1;;-1;;;;
InChIKeyUHPHXINPRWATSC-UHFFFAOYSA-N
XLogP3.40
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500832.91
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium)
CID 159486928
4-methanidylpentan-2-one;yttrium
CID 147863324
N-iodo-3-methylbutanamide
CID 135276105
3-methylbutanoic acid
CID 20849036
argon;3-methylbutanoic acid
CID 158006921
3-methylbutanamide
CID 87933309
3-methylbutanoylchloranium
CID 143335257
chloromethane;2,6-dimethylheptan-4-one
CID 174654113
2,8-dimethylnonane-4,5,6-trione
CID 141143930
CID 87948469
CID 87948469
(E)-4,6-dimethylhept-3-en-2-one
CID 12956006
dipropyl 2,3-bis(2-methylpropyl)but-2-enedioate
CID 123952538

Frequently Asked Questions

What is the IUPAC name of carbanide;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium)?
The IUPAC name of carbanide;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium) (CID 159525962) is carbanide;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium).
What is the SMILES notation for carbanide;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium)?
The canonical SMILES for carbanide;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium) is C.[CH-]=O.[CH-]=O.[CH2-]C(=O)CC(C)C.[CH2-]C(=O)CC(C)C.[CH3-].[W].[W].[Y].[Y].
What is the InChIKey of carbanide;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium)?
The InChIKey is UHPHXINPRWATSC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11O.2CHO.CH4.CH3.2W.2Y/c2*1-5(2)4-6(3)7;2*1-2;;;;;;/h2*5H,3-4H2,1-2H3;2*1H;1H4;1H3;;;;/q4*-1;;-1;;;;.
What are the key properties of carbanide;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium)?
carbanide;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium) has a molecular weight of 832.91 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium) is sourced from PubChem (CID 159525962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).