carbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium

C8H13O2WY- — CID 91867737

IUPACcarbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium
SMILESC=C(C[C-]=O)C(C)=O.[CH3-].[CH3-].[W+2].[Y]
InChIInChI=1S/C6H7O2.2CH3.W.Y/c1-5(3-4-7)6(2)8;;;;/h1,3H2,2H3;2*1H3;;/q3*-1;+2;
InChIKeyBRSRBQAFBQSTTK-UHFFFAOYSA-N
MW413.94 g/mol
LogP1.53
Rot. Bonds3

About carbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium

carbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium (PubChem CID 91867737) has the molecular formula C8H13O2WY- and a molecular weight of 413.94 g/mol. Its IUPAC name is carbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium.

Molecular Properties

Compound Namecarbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium
PubChem CID91867737
Molecular FormulaC8H13O2WY-
Molecular Weight413.94 g/mol
Exact Mass413.95
IUPAC Namecarbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium
SMILESC=C(C[C-]=O)C(C)=O.[CH3-].[CH3-].[W+2].[Y]
InChIInChI=1S/C6H7O2.2CH3.W.Y/c1-5(3-4-7)6(2)8;;;;/h1,3H2,2H3;2*1H3;;/q3*-1;+2;
InChIKeyBRSRBQAFBQSTTK-UHFFFAOYSA-N
XLogP1.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.94
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylidenebutane-1,3-dione;bis(yttrium)
CID 59648874
3-methylidenenonan-2-one
CID 3017847
2-methylprop-2-en-1-one;tantalum
CID 87346004
3-(methylsulfonylmethyl)but-3-en-2-one
CID 18731936
3-methylidenehex-5-yn-2-one
CID 10486810
dimethyl-bis(2-methylidene-3-oxobutyl)azanium bromide
CID 163711713
bis(butane-1,3-dione);bis(propan-2-ol);titanium(2+)
CID 141338889
ethyl 2,4-dimethylidene-5-oxohexanoate
CID 11116678
dimethyl 2-(2-methylidene-3-oxobutyl)propanedioate
CID 12813381
bis(3-aminobut-3-en-2-one);ethane;propane
CID 160805847
methanol;propan-1-one;yttrium
CID 59124432
bis(butane-1,3-dione);oxotitanium(2+);bis(propan-2-ol)
CID 87536918

Frequently Asked Questions

What is the IUPAC name of carbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium?
The IUPAC name of carbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium (CID 91867737) is carbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium.
What is the SMILES notation for carbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium?
The canonical SMILES for carbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium is C=C(C[C-]=O)C(C)=O.[CH3-].[CH3-].[W+2].[Y].
What is the InChIKey of carbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium?
The InChIKey is BRSRBQAFBQSTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O2.2CH3.W.Y/c1-5(3-4-7)6(2)8;;;;/h1,3H2,2H3;2*1H3;;/q3*-1;+2;.
What are the key properties of carbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium?
carbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium has a molecular weight of 413.94 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-methylidenepentane-1,4-dione;tungsten(2+);yttrium is sourced from PubChem (CID 91867737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).