tert-butylcyclobutane;tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2,2-dimethylpropane;ethane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+)

C59H127N4Y — CID 157358595

IUPACtert-butylcyclobutane;tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2,2-dimethylpropane;ethane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+)
SMILESCC.CC(C)(C)C.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCC1.CN1CCC(C(C)(C)C)CC1.CN1CCCCC1.CN1CCN(C(C)(C)C)CC1.C[C-](C)C.[CH2-]CCC[CH2-].[Y+3]
InChIInChI=1S/C10H21N.C10H20.C9H20N2.C8H16.C6H13N.C5H12.C5H10.C4H9.C2H6.Y/c1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)7-5-4-6-7;1-7-5-3-2-4-6-7;1-5(2,3)4;1-3-5-4-2;1-4(2)3;1-2;/h9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;5-8H2,1-4H3;7H,4-6H2,1-3H3;2-6H2,1H3;1-4H3;1-5H2;1-3H3;1-2H3;/q;;;;;;-2;-1;;+3
InChIKeyBIJIYNVKRJAHOV-UHFFFAOYSA-N
MW981.60 g/mol
LogP17.48
Rot. Bonds2

About tert-butylcyclobutane;tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2,2-dimethylpropane;ethane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+)

tert-butylcyclobutane;tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2,2-dimethylpropane;ethane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+) (PubChem CID 157358595) has the molecular formula C59H127N4Y and a molecular weight of 981.60 g/mol. Its IUPAC name is tert-butylcyclobutane;tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2,2-dimethylpropane;ethane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+).

Molecular Properties

Compound Nametert-butylcyclobutane;tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2,2-dimethylpropane;ethane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+)
PubChem CID157358595
Molecular FormulaC59H127N4Y
Molecular Weight981.60 g/mol
Exact Mass980.91
IUPAC Nametert-butylcyclobutane;tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2,2-dimethylpropane;ethane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+)
SMILESCC.CC(C)(C)C.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCC1.CN1CCC(C(C)(C)C)CC1.CN1CCCCC1.CN1CCN(C(C)(C)C)CC1.C[C-](C)C.[CH2-]CCC[CH2-].[Y+3]
InChIInChI=1S/C10H21N.C10H20.C9H20N2.C8H16.C6H13N.C5H12.C5H10.C4H9.C2H6.Y/c1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)7-5-4-6-7;1-7-5-3-2-4-6-7;1-5(2,3)4;1-3-5-4-2;1-4(2)3;1-2;/h9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;5-8H2,1-4H3;7H,4-6H2,1-3H3;2-6H2,1H3;1-4H3;1-5H2;1-3H3;1-2H3;/q;;;;;;-2;-1;;+3
InChIKeyBIJIYNVKRJAHOV-UHFFFAOYSA-N
XLogP17.48
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.60
LogP ≤ 517.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butylcyclobutane;tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2,2-dimethylpropane;ethane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+)?
The IUPAC name of tert-butylcyclobutane;tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2,2-dimethylpropane;ethane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+) (CID 157358595) is tert-butylcyclobutane;tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2,2-dimethylpropane;ethane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+).
What is the SMILES notation for tert-butylcyclobutane;tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2,2-dimethylpropane;ethane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+)?
The canonical SMILES for tert-butylcyclobutane;tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2,2-dimethylpropane;ethane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+) is CC.CC(C)(C)C.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCC1.CN1CCC(C(C)(C)C)CC1.CN1CCCCC1.CN1CCN(C(C)(C)C)CC1.C[C-](C)C.[CH2-]CCC[CH2-].[Y+3].
What is the InChIKey of tert-butylcyclobutane;tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2,2-dimethylpropane;ethane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+)?
The InChIKey is BIJIYNVKRJAHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C10H20.C9H20N2.C8H16.C6H13N.C5H12.C5H10.C4H9.C2H6.Y/c1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)11-7-5-10(4)6-8-11;1-8(2,3)7-5-4-6-7;1-7-5-3-2-4-6-7;1-5(2,3)4;1-3-5-4-2;1-4(2)3;1-2;/h9H,5-8H2,1-4H3;9H,4-8H2,1-3H3;5-8H2,1-4H3;7H,4-6H2,1-3H3;2-6H2,1H3;1-4H3;1-5H2;1-3H3;1-2H3;/q;;;;;;-2;-1;;+3.
What are the key properties of tert-butylcyclobutane;tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2,2-dimethylpropane;ethane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+)?
tert-butylcyclobutane;tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2,2-dimethylpropane;ethane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+) has a molecular weight of 981.60 g/mol, XLogP of 17.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclobutane;tert-butylcyclohexane;1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;2,2-dimethylpropane;ethane;1-methylpiperidine;2-methylpropane;pentane;yttrium(3+) is sourced from PubChem (CID 157358595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).