buta-1,3-diene;ethane;methane;phosphane;yttrium

C9H23PY-2 — CID 160888300

IUPACbuta-1,3-diene;ethane;methane;phosphane;yttrium
SMILESC.CC.CC.P.[H]/[C-]=C/C=[C-]/[H].[Y]
InChIInChI=1S/C4H4.2C2H6.CH4.H3P.Y/c1-3-4-2;2*1-2;;;/h1-4H;2*1-2H3;1H4;1H3;/q-2;;;;;
InChIKeyOQORGQKAIVPJQI-UHFFFAOYSA-N
MW251.16 g/mol
LogP3.71
Rot. Bonds1

About buta-1,3-diene;ethane;methane;phosphane;yttrium

buta-1,3-diene;ethane;methane;phosphane;yttrium (PubChem CID 160888300) has the molecular formula C9H23PY-2 and a molecular weight of 251.16 g/mol. Its IUPAC name is buta-1,3-diene;ethane;methane;phosphane;yttrium.

Molecular Properties

Compound Namebuta-1,3-diene;ethane;methane;phosphane;yttrium
PubChem CID160888300
Molecular FormulaC9H23PY-2
Molecular Weight251.16 g/mol
Exact Mass251.06
IUPAC Namebuta-1,3-diene;ethane;methane;phosphane;yttrium
SMILESC.CC.CC.P.[H]/[C-]=C/C=[C-]/[H].[Y]
InChIInChI=1S/C4H4.2C2H6.CH4.H3P.Y/c1-3-4-2;2*1-2;;;/h1-4H;2*1-2H3;1H4;1H3;/q-2;;;;;
InChIKeyOQORGQKAIVPJQI-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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;ethane;methane;phosphane;yttrium?
The IUPAC name of buta-1,3-diene;ethane;methane;phosphane;yttrium (CID 160888300) is buta-1,3-diene;ethane;methane;phosphane;yttrium.
What is the SMILES notation for buta-1,3-diene;ethane;methane;phosphane;yttrium?
The canonical SMILES for buta-1,3-diene;ethane;methane;phosphane;yttrium is C.CC.CC.P.[H]/[C-]=C/C=[C-]/[H].[Y].
What is the InChIKey of buta-1,3-diene;ethane;methane;phosphane;yttrium?
The InChIKey is OQORGQKAIVPJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4.2C2H6.CH4.H3P.Y/c1-3-4-2;2*1-2;;;/h1-4H;2*1-2H3;1H4;1H3;/q-2;;;;;.
What are the key properties of buta-1,3-diene;ethane;methane;phosphane;yttrium?
buta-1,3-diene;ethane;methane;phosphane;yttrium has a molecular weight of 251.16 g/mol, XLogP of 3.71, 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;ethane;methane;phosphane;yttrium is sourced from PubChem (CID 160888300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).