carbanide;cyclopenta-1,3-diene;ethane;bis(yttrium);triiodide

C10H21I3Y2-2 — CID 161123233

IUPACcarbanide;cyclopenta-1,3-diene;ethane;bis(yttrium);triiodide
SMILESC1=CCC=C1.CC.CC.I[I-]I.[CH3-].[Y].[Y]
InChIInChI=1S/C5H6.2C2H6.CH3.I3.2Y/c1-2-4-5-3-1;2*1-2;;1-3-2;;/h1-4H,5H2;2*1-2H3;1H3;;;/q;;;2*-1;;
InChIKeyJOXOUZYQEXIGDQ-UHFFFAOYSA-N
MW699.80 g/mol
LogP2.78
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;ethane;bis(yttrium);triiodide

carbanide;cyclopenta-1,3-diene;ethane;bis(yttrium);triiodide (PubChem CID 161123233) has the molecular formula C10H21I3Y2-2 and a molecular weight of 699.80 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;ethane;bis(yttrium);triiodide.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;ethane;bis(yttrium);triiodide
PubChem CID161123233
Molecular FormulaC10H21I3Y2-2
Molecular Weight699.80 g/mol
Exact Mass699.69
IUPAC Namecarbanide;cyclopenta-1,3-diene;ethane;bis(yttrium);triiodide
SMILESC1=CCC=C1.CC.CC.I[I-]I.[CH3-].[Y].[Y]
InChIInChI=1S/C5H6.2C2H6.CH3.I3.2Y/c1-2-4-5-3-1;2*1-2;;1-3-2;;/h1-4H,5H2;2*1-2H3;1H3;;;/q;;;2*-1;;
InChIKeyJOXOUZYQEXIGDQ-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500699.80
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;ethane;bis(yttrium);triiodide?
The IUPAC name of carbanide;cyclopenta-1,3-diene;ethane;bis(yttrium);triiodide (CID 161123233) is carbanide;cyclopenta-1,3-diene;ethane;bis(yttrium);triiodide.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;ethane;bis(yttrium);triiodide?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;ethane;bis(yttrium);triiodide is C1=CCC=C1.CC.CC.I[I-]I.[CH3-].[Y].[Y].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;ethane;bis(yttrium);triiodide?
The InChIKey is JOXOUZYQEXIGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.2C2H6.CH3.I3.2Y/c1-2-4-5-3-1;2*1-2;;1-3-2;;/h1-4H,5H2;2*1-2H3;1H3;;;/q;;;2*-1;;.
What are the key properties of carbanide;cyclopenta-1,3-diene;ethane;bis(yttrium);triiodide?
carbanide;cyclopenta-1,3-diene;ethane;bis(yttrium);triiodide has a molecular weight of 699.80 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;ethane;bis(yttrium);triiodide is sourced from PubChem (CID 161123233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).