ethylidenetungsten;1-hydroxyprop-2-enylidenetungsten;propane;yttrium

C8H13OW2Y-3 — CID 58978278

IUPACethylidenetungsten;1-hydroxyprop-2-enylidenetungsten;propane;yttrium
SMILESC[C-]=[W].[CH2-]CC.[H]/[C-]=C/C(O)=[W].[Y]
InChIInChI=1S/C3H3O.C3H7.C2H3.2W.Y/c1-2-3-4;1-3-2;1-2;;;/h1-2,4H;1,3H2,2H3;1H3;;;/q3*-1;;;
InChIKeyFNBJNLGNKXTWGR-UHFFFAOYSA-N
MW581.78 g/mol
LogP1.49
Rot. Bonds1

About ethylidenetungsten;1-hydroxyprop-2-enylidenetungsten;propane;yttrium

ethylidenetungsten;1-hydroxyprop-2-enylidenetungsten;propane;yttrium (PubChem CID 58978278) has the molecular formula C8H13OW2Y-3 and a molecular weight of 581.78 g/mol. Its IUPAC name is ethylidenetungsten;1-hydroxyprop-2-enylidenetungsten;propane;yttrium.

Molecular Properties

Compound Nameethylidenetungsten;1-hydroxyprop-2-enylidenetungsten;propane;yttrium
PubChem CID58978278
Molecular FormulaC8H13OW2Y-3
Molecular Weight581.78 g/mol
Exact Mass581.91
IUPAC Nameethylidenetungsten;1-hydroxyprop-2-enylidenetungsten;propane;yttrium
SMILESC[C-]=[W].[CH2-]CC.[H]/[C-]=C/C(O)=[W].[Y]
InChIInChI=1S/C3H3O.C3H7.C2H3.2W.Y/c1-2-3-4;1-3-2;1-2;;;/h1-2,4H;1,3H2,2H3;1H3;;;/q3*-1;;;
InChIKeyFNBJNLGNKXTWGR-UHFFFAOYSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.78
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethylidenetungsten;1-(methylamino)prop-2-enylidenetungsten
CID 59665904
aminomethylidenetungsten;1-ethoxyprop-2-enylidenetungsten
CID 59737785
hex-1-en-3-ylidenetungsten;sulfanylmethylidenetungsten
CID 59737786
[(2E)-3-ethyl-2-hydroxypenta-2,4-dienylidene]tungsten;yttrium
CID 58021940
but-1-ene;2-methylpropane;yttrium
CID 178013549
3,4-dimethanidylidenehexa-1,5-diene;tris(yttrium)
CID 58239434
prop-2-enylidenevanadium;propylidenetungsten
CID 59367628
carbanide;methane;propane;yttrium
CID 160670270
propane;uranium
CID 58593144
silver propane
CID 18629779
1-hydroxypropylidenetungsten
CID 15826614
butane;propane;yttrium
CID 59895294

Frequently Asked Questions

What is the IUPAC name of ethylidenetungsten;1-hydroxyprop-2-enylidenetungsten;propane;yttrium?
The IUPAC name of ethylidenetungsten;1-hydroxyprop-2-enylidenetungsten;propane;yttrium (CID 58978278) is ethylidenetungsten;1-hydroxyprop-2-enylidenetungsten;propane;yttrium.
What is the SMILES notation for ethylidenetungsten;1-hydroxyprop-2-enylidenetungsten;propane;yttrium?
The canonical SMILES for ethylidenetungsten;1-hydroxyprop-2-enylidenetungsten;propane;yttrium is C[C-]=[W].[CH2-]CC.[H]/[C-]=C/C(O)=[W].[Y].
What is the InChIKey of ethylidenetungsten;1-hydroxyprop-2-enylidenetungsten;propane;yttrium?
The InChIKey is FNBJNLGNKXTWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3O.C3H7.C2H3.2W.Y/c1-2-3-4;1-3-2;1-2;;;/h1-2,4H;1,3H2,2H3;1H3;;;/q3*-1;;;.
What are the key properties of ethylidenetungsten;1-hydroxyprop-2-enylidenetungsten;propane;yttrium?
ethylidenetungsten;1-hydroxyprop-2-enylidenetungsten;propane;yttrium has a molecular weight of 581.78 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidenetungsten;1-hydroxyprop-2-enylidenetungsten;propane;yttrium is sourced from PubChem (CID 58978278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).