butane;ethene;methane;tris(yttrium)

C13H30Y3-2 — CID 158409279

IUPACbutane;ethene;methane;tris(yttrium)
SMILESC.C=C.C=C.[CH2-]CCC.[CH2-]CCC.[Y].[Y].[Y]
InChIInChI=1S/2C4H9.2C2H4.CH4.3Y/c2*1-3-4-2;2*1-2;;;;/h2*1,3-4H2,2H3;2*1-2H2;1H4;;;/q2*-1;;;;;;
InChIKeyMCRAOORQAFPUSZ-UHFFFAOYSA-N
MW453.10 g/mol
LogP5.47
Rot. Bonds2

About butane;ethene;methane;tris(yttrium)

butane;ethene;methane;tris(yttrium) (PubChem CID 158409279) has the molecular formula C13H30Y3-2 and a molecular weight of 453.10 g/mol. Its IUPAC name is butane;ethene;methane;tris(yttrium).

Molecular Properties

Compound Namebutane;ethene;methane;tris(yttrium)
PubChem CID158409279
Molecular FormulaC13H30Y3-2
Molecular Weight453.10 g/mol
Exact Mass452.95
IUPAC Namebutane;ethene;methane;tris(yttrium)
SMILESC.C=C.C=C.[CH2-]CCC.[CH2-]CCC.[Y].[Y].[Y]
InChIInChI=1S/2C4H9.2C2H4.CH4.3Y/c2*1-3-4-2;2*1-2;;;;/h2*1,3-4H2,2H3;2*1-2H2;1H4;;;/q2*-1;;;;;;
InChIKeyMCRAOORQAFPUSZ-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.10
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane;ethene;methane;tris(yttrium)?
The IUPAC name of butane;ethene;methane;tris(yttrium) (CID 158409279) is butane;ethene;methane;tris(yttrium).
What is the SMILES notation for butane;ethene;methane;tris(yttrium)?
The canonical SMILES for butane;ethene;methane;tris(yttrium) is C.C=C.C=C.[CH2-]CCC.[CH2-]CCC.[Y].[Y].[Y].
What is the InChIKey of butane;ethene;methane;tris(yttrium)?
The InChIKey is MCRAOORQAFPUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.2C2H4.CH4.3Y/c2*1-3-4-2;2*1-2;;;;/h2*1,3-4H2,2H3;2*1-2H2;1H4;;;/q2*-1;;;;;;.
What are the key properties of butane;ethene;methane;tris(yttrium)?
butane;ethene;methane;tris(yttrium) has a molecular weight of 453.10 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethene;methane;tris(yttrium) is sourced from PubChem (CID 158409279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).