buta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+)

C9H20WY- — CID 162271507

IUPACbuta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+)
SMILESC.CC.[CH3-].[CH3-].[H]/[C-]=C/C=[C-]/[H].[W].[Y+3]
InChIInChI=1S/C4H4.C2H6.CH4.2CH3.W.Y/c1-3-4-2;1-2;;;;;/h1-4H;1-2H3;1H4;2*1H3;;/q-2;;;2*-1;;+3
InChIKeyXKDOSFJEOLAKSV-UHFFFAOYSA-N
MW401.01 g/mol
LogP3.52
Rot. Bonds1

About buta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+)

buta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+) (PubChem CID 162271507) has the molecular formula C9H20WY- and a molecular weight of 401.01 g/mol. Its IUPAC name is buta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+).

Molecular Properties

Compound Namebuta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+)
PubChem CID162271507
Molecular FormulaC9H20WY-
Molecular Weight401.01 g/mol
Exact Mass401.01
IUPAC Namebuta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+)
SMILESC.CC.[CH3-].[CH3-].[H]/[C-]=C/C=[C-]/[H].[W].[Y+3]
InChIInChI=1S/C4H4.C2H6.CH4.2CH3.W.Y/c1-3-4-2;1-2;;;;;/h1-4H;1-2H3;1H4;2*1H3;;/q-2;;;2*-1;;+3
InChIKeyXKDOSFJEOLAKSV-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.01
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+)?
The IUPAC name of buta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+) (CID 162271507) is buta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+).
What is the SMILES notation for buta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+)?
The canonical SMILES for buta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+) is C.CC.[CH3-].[CH3-].[H]/[C-]=C/C=[C-]/[H].[W].[Y+3].
What is the InChIKey of buta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+)?
The InChIKey is XKDOSFJEOLAKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4.C2H6.CH4.2CH3.W.Y/c1-3-4-2;1-2;;;;;/h1-4H;1-2H3;1H4;2*1H3;;/q-2;;;2*-1;;+3.
What are the key properties of buta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+)?
buta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+) has a molecular weight of 401.01 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;carbanide;ethane;methane;tungsten;yttrium(3+) is sourced from PubChem (CID 162271507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).