carbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium)

C17H31O4W2Y2-5 — CID 159486928

IUPACcarbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium)
SMILES[CH-]=O.[CH-]=O.[CH2-]C(=O)CCC(C)C.[CH2-]C(=O)CCC(C)C.[CH3-].[W].[W].[Y].[Y]
InChIInChI=1S/2C7H13O.2CHO.CH3.2W.2Y/c2*1-6(2)4-5-7(3)8;2*1-2;;;;;/h2*6H,3-5H2,1-2H3;2*1H;1H3;;;;/q5*-1;;;;
InChIKeyNNERMLOIUGYTQJ-UHFFFAOYSA-N
MW844.92 g/mol
LogP3.54
Rot. Bonds6

About carbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium)

carbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium) (PubChem CID 159486928) has the molecular formula C17H31O4W2Y2-5 and a molecular weight of 844.92 g/mol. Its IUPAC name is carbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium).

Molecular Properties

Compound Namecarbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium)
PubChem CID159486928
Molecular FormulaC17H31O4W2Y2-5
Molecular Weight844.92 g/mol
Exact Mass844.94
IUPAC Namecarbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium)
SMILES[CH-]=O.[CH-]=O.[CH2-]C(=O)CCC(C)C.[CH2-]C(=O)CCC(C)C.[CH3-].[W].[W].[Y].[Y]
InChIInChI=1S/2C7H13O.2CHO.CH3.2W.2Y/c2*1-6(2)4-5-7(3)8;2*1-2;;;;;/h2*6H,3-5H2,1-2H3;2*1H;1H3;;;;/q5*-1;;;;
InChIKeyNNERMLOIUGYTQJ-UHFFFAOYSA-N
XLogP3.54
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500844.92
LogP ≤ 53.54
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;methane;methanone;bis(4-methylpentan-2-one);tungsten;bis(yttrium)
CID 159525962
propanoyl 4-methylpentanoate
CID 175419414
copper(1+);4-methylpentanoate
CID 159345928
magnesium;hydride;4-methylpentanoic acid
CID 174689724
6-methylheptane-2,5-dione;2-methylpropane;vanadium(2+)
CID 21354478
tert-butyl 4-methylpentanoate
CID 14724205
6-hydroxy-2,9-dimethyldecan-5-one
CID 44721103
2,8,9-trimethyldecan-5-one
CID 162772851
methane;N,N,4-trimethylpentanamide
CID 160907901
5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one
CID 175146377
(Z)-3-hydroxy-2,6-dimethylhept-2-enoic acid
CID 87139174
3-hydroxy-2,6-dimethylhept-2-enoic acid
CID 140576273

Frequently Asked Questions

What is the IUPAC name of carbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium)?
The IUPAC name of carbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium) (CID 159486928) is carbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium).
What is the SMILES notation for carbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium)?
The canonical SMILES for carbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium) is [CH-]=O.[CH-]=O.[CH2-]C(=O)CCC(C)C.[CH2-]C(=O)CCC(C)C.[CH3-].[W].[W].[Y].[Y].
What is the InChIKey of carbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium)?
The InChIKey is NNERMLOIUGYTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13O.2CHO.CH3.2W.2Y/c2*1-6(2)4-5-7(3)8;2*1-2;;;;;/h2*6H,3-5H2,1-2H3;2*1H;1H3;;;;/q5*-1;;;;.
What are the key properties of carbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium)?
carbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium) has a molecular weight of 844.92 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methanone;bis(5-methylhexan-2-one);tungsten;bis(yttrium) is sourced from PubChem (CID 159486928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).