carbanide;ethane;ethylbenzene;yttrium

C13H24Y-2 — CID 154652507

IUPACcarbanide;ethane;ethylbenzene;yttrium
SMILESCC.CC.CCc1c[c-]ccc1.[CH3-].[Y]
InChIInChI=1S/C8H9.2C2H6.CH3.Y/c1-2-8-6-4-3-5-7-8;2*1-2;;/h3-4,6-7H,2H2,1H3;2*1-2H3;1H3;/q-1;;;-1;
InChIKeyJDDRITNDTYQJFA-UHFFFAOYSA-N
MW269.24 g/mol
LogP4.55
Rot. Bonds1

About carbanide;ethane;ethylbenzene;yttrium

carbanide;ethane;ethylbenzene;yttrium (PubChem CID 154652507) has the molecular formula C13H24Y-2 and a molecular weight of 269.24 g/mol. Its IUPAC name is carbanide;ethane;ethylbenzene;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;ethylbenzene;yttrium
PubChem CID154652507
Molecular FormulaC13H24Y-2
Molecular Weight269.24 g/mol
Exact Mass269.09
IUPAC Namecarbanide;ethane;ethylbenzene;yttrium
SMILESCC.CC.CCc1c[c-]ccc1.[CH3-].[Y]
InChIInChI=1S/C8H9.2C2H6.CH3.Y/c1-2-8-6-4-3-5-7-8;2*1-2;;/h3-4,6-7H,2H2,1H3;2*1-2H3;1H3;/q-1;;;-1;
InChIKeyJDDRITNDTYQJFA-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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ethane;(2-methyl-3-phenylpropyl)benzene;tungsten;bis(yttrium)
CID 58811028
ethane;methylbenzene;tungsten(2+)
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ethylbenzene;yttrium
CID 59931165
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CID 90887003
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CID 91655374
ethane;ethylbenzene;propane
CID 91199618
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Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;ethylbenzene;yttrium?
The IUPAC name of carbanide;ethane;ethylbenzene;yttrium (CID 154652507) is carbanide;ethane;ethylbenzene;yttrium.
What is the SMILES notation for carbanide;ethane;ethylbenzene;yttrium?
The canonical SMILES for carbanide;ethane;ethylbenzene;yttrium is CC.CC.CCc1c[c-]ccc1.[CH3-].[Y].
What is the InChIKey of carbanide;ethane;ethylbenzene;yttrium?
The InChIKey is JDDRITNDTYQJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.2C2H6.CH3.Y/c1-2-8-6-4-3-5-7-8;2*1-2;;/h3-4,6-7H,2H2,1H3;2*1-2H3;1H3;/q-1;;;-1;.
What are the key properties of carbanide;ethane;ethylbenzene;yttrium?
carbanide;ethane;ethylbenzene;yttrium has a molecular weight of 269.24 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;ethylbenzene;yttrium is sourced from PubChem (CID 154652507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).