3-methanidyl-2,2-dimethylpentane;2-methylpropane;yttrium(3+)

C12H25Y — CID 59555473

IUPAC3-methanidyl-2,2-dimethylpentane;2-methylpropane;yttrium(3+)
SMILESC[C-](C)C.[CH2-]CC([CH2-])C(C)(C)C.[Y+3]
InChIInChI=1S/C8H16.C4H9.Y/c1-6-7(2)8(3,4)5;1-4(2)3;/h7H,1-2,6H2,3-5H3;1-3H3;/q-2;-1;+3
InChIKeyXVJHEQWRHPKDSP-UHFFFAOYSA-N
MW258.24 g/mol
LogP4.33
Rot. Bonds1

About 3-methanidyl-2,2-dimethylpentane;2-methylpropane;yttrium(3+)

3-methanidyl-2,2-dimethylpentane;2-methylpropane;yttrium(3+) (PubChem CID 59555473) has the molecular formula C12H25Y and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-methanidyl-2,2-dimethylpentane;2-methylpropane;yttrium(3+).

Molecular Properties

Compound Name3-methanidyl-2,2-dimethylpentane;2-methylpropane;yttrium(3+)
PubChem CID59555473
Molecular FormulaC12H25Y
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name3-methanidyl-2,2-dimethylpentane;2-methylpropane;yttrium(3+)
SMILESC[C-](C)C.[CH2-]CC([CH2-])C(C)(C)C.[Y+3]
InChIInChI=1S/C8H16.C4H9.Y/c1-6-7(2)8(3,4)5;1-4(2)3;/h7H,1-2,6H2,3-5H3;1-3H3;/q-2;-1;+3
InChIKeyXVJHEQWRHPKDSP-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 54.33
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

2-methylbutane;2-methylpropane;yttrium
CID 58618972
N-ethyl-N-methanidyl-2-methylpropan-2-amine;2-methylpropane;yttrium(3+)
CID 58073164
2,2,3,4-tetramethylhexane
CID 91324153
ethylsulfanylethane;2-methylpropane;yttrium(3+)
CID 153435739
bis(2-methanidyl-2-methylpropane);bis(2-methylpropane);bis(yttrium)
CID 165071362
ethane;methane;2-methylpropane;propane;vanadium(2+)
CID 157138365
2-methanidyl-2,3-dimethylpentane;yttrium
CID 59936571
lithium 2,2,4-trimethylhexane
CID 19358976
3-ethyl-2,2-dimethylheptane
CID 20686447
bis(2-methylbutane);yttrium
CID 140616958
2-methanidylpropane;propane;tungsten(2+)
CID 59881862
N-ethyl-3,3-dimethyl-N-silylbutan-2-amine
CID 173017961

Frequently Asked Questions

What is the IUPAC name of 3-methanidyl-2,2-dimethylpentane;2-methylpropane;yttrium(3+)?
The IUPAC name of 3-methanidyl-2,2-dimethylpentane;2-methylpropane;yttrium(3+) (CID 59555473) is 3-methanidyl-2,2-dimethylpentane;2-methylpropane;yttrium(3+).
What is the SMILES notation for 3-methanidyl-2,2-dimethylpentane;2-methylpropane;yttrium(3+)?
The canonical SMILES for 3-methanidyl-2,2-dimethylpentane;2-methylpropane;yttrium(3+) is C[C-](C)C.[CH2-]CC([CH2-])C(C)(C)C.[Y+3].
What is the InChIKey of 3-methanidyl-2,2-dimethylpentane;2-methylpropane;yttrium(3+)?
The InChIKey is XVJHEQWRHPKDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C4H9.Y/c1-6-7(2)8(3,4)5;1-4(2)3;/h7H,1-2,6H2,3-5H3;1-3H3;/q-2;-1;+3.
What are the key properties of 3-methanidyl-2,2-dimethylpentane;2-methylpropane;yttrium(3+)?
3-methanidyl-2,2-dimethylpentane;2-methylpropane;yttrium(3+) has a molecular weight of 258.24 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanidyl-2,2-dimethylpentane;2-methylpropane;yttrium(3+) is sourced from PubChem (CID 59555473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).