1-tert-butyl-2-ethylcyclopentane;tris(yttrium)

C11H20Y3-2 — CID 162280289

IUPAC1-tert-butyl-2-ethylcyclopentane;tris(yttrium)
SMILES[CH2-]CC1[CH-]CCC1C(C)(C)C.[Y].[Y].[Y]
InChIInChI=1S/C11H20.3Y/c1-5-9-7-6-8-10(9)11(2,3)4;;;/h7,9-10H,1,5-6,8H2,2-4H3;;;/q-2;;;
InChIKeyBMAMMROIAWGWGS-UHFFFAOYSA-N
MW419.00 g/mol
LogP3.48
Rot. Bonds1

About 1-tert-butyl-2-ethylcyclopentane;tris(yttrium)

1-tert-butyl-2-ethylcyclopentane;tris(yttrium) (PubChem CID 162280289) has the molecular formula C11H20Y3-2 and a molecular weight of 419.00 g/mol. Its IUPAC name is 1-tert-butyl-2-ethylcyclopentane;tris(yttrium).

Molecular Properties

Compound Name1-tert-butyl-2-ethylcyclopentane;tris(yttrium)
PubChem CID162280289
Molecular FormulaC11H20Y3-2
Molecular Weight419.00 g/mol
Exact Mass418.88
IUPAC Name1-tert-butyl-2-ethylcyclopentane;tris(yttrium)
SMILES[CH2-]CC1[CH-]CCC1C(C)(C)C.[Y].[Y].[Y]
InChIInChI=1S/C11H20.3Y/c1-5-9-7-6-8-10(9)11(2,3)4;;;/h7,9-10H,1,5-6,8H2,2-4H3;;;/q-2;;;
InChIKeyBMAMMROIAWGWGS-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.00
LogP ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-ethylcyclopentane;tris(yttrium)?
The IUPAC name of 1-tert-butyl-2-ethylcyclopentane;tris(yttrium) (CID 162280289) is 1-tert-butyl-2-ethylcyclopentane;tris(yttrium).
What is the SMILES notation for 1-tert-butyl-2-ethylcyclopentane;tris(yttrium)?
The canonical SMILES for 1-tert-butyl-2-ethylcyclopentane;tris(yttrium) is [CH2-]CC1[CH-]CCC1C(C)(C)C.[Y].[Y].[Y].
What is the InChIKey of 1-tert-butyl-2-ethylcyclopentane;tris(yttrium)?
The InChIKey is BMAMMROIAWGWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.3Y/c1-5-9-7-6-8-10(9)11(2,3)4;;;/h7,9-10H,1,5-6,8H2,2-4H3;;;/q-2;;;.
What are the key properties of 1-tert-butyl-2-ethylcyclopentane;tris(yttrium)?
1-tert-butyl-2-ethylcyclopentane;tris(yttrium) has a molecular weight of 419.00 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-ethylcyclopentane;tris(yttrium) is sourced from PubChem (CID 162280289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).