butan-2-ylbenzene;2,3-dimethanidylbutane;methane;bis(yttrium)

C17H28Y2-4 — CID 160595680

IUPACbutan-2-ylbenzene;2,3-dimethanidylbutane;methane;bis(yttrium)
SMILESC.C[CH-]C(C)c1[c-]cccc1.[CH2-]C(C)C([CH2-])C.[Y].[Y]
InChIInChI=1S/C10H12.C6H12.CH4.2Y/c1-3-9(2)10-7-5-4-6-8-10;1-5(2)6(3)4;;;/h3-7,9H,1-2H3;5-6H,1,3H2,2,4H3;1H4;;/q2*-2;;;
InChIKeyQLVDDJJJHGUUTK-UHFFFAOYSA-N
MW410.22 g/mol
LogP5.37
Rot. Bonds3

About butan-2-ylbenzene;2,3-dimethanidylbutane;methane;bis(yttrium)

butan-2-ylbenzene;2,3-dimethanidylbutane;methane;bis(yttrium) (PubChem CID 160595680) has the molecular formula C17H28Y2-4 and a molecular weight of 410.22 g/mol. Its IUPAC name is butan-2-ylbenzene;2,3-dimethanidylbutane;methane;bis(yttrium).

Molecular Properties

Compound Namebutan-2-ylbenzene;2,3-dimethanidylbutane;methane;bis(yttrium)
PubChem CID160595680
Molecular FormulaC17H28Y2-4
Molecular Weight410.22 g/mol
Exact Mass410.03
IUPAC Namebutan-2-ylbenzene;2,3-dimethanidylbutane;methane;bis(yttrium)
SMILESC.C[CH-]C(C)c1[c-]cccc1.[CH2-]C(C)C([CH2-])C.[Y].[Y]
InChIInChI=1S/C10H12.C6H12.CH4.2Y/c1-3-9(2)10-7-5-4-6-8-10;1-5(2)6(3)4;;;/h3-7,9H,1-2H3;5-6H,1,3H2,2,4H3;1H4;;/q2*-2;;;
InChIKeyQLVDDJJJHGUUTK-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.22
LogP ≤ 55.37
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

[(2R)-propan-2-yl]benzene;yttrium
CID 59679687
propan-2-ylbenzene;yttrium
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propan-2-ylbenzene;yttrium
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CID 158850715
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CID 158169650
sodium;propanedioic acid;propan-2-ylbenzene
CID 174967498
ethane;phenylbenzene;yttrium
CID 161119758
N-methyl-N-phenylaniline;yttrium
CID 59953259
phenyl(phenyl)methanol;ruthenium(1+);tetrakis(trimethylphosphane)
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lithium;carbon monoxide;chromium;dimethoxymethylbenzene
CID 134876422

Frequently Asked Questions

What is the IUPAC name of butan-2-ylbenzene;2,3-dimethanidylbutane;methane;bis(yttrium)?
The IUPAC name of butan-2-ylbenzene;2,3-dimethanidylbutane;methane;bis(yttrium) (CID 160595680) is butan-2-ylbenzene;2,3-dimethanidylbutane;methane;bis(yttrium).
What is the SMILES notation for butan-2-ylbenzene;2,3-dimethanidylbutane;methane;bis(yttrium)?
The canonical SMILES for butan-2-ylbenzene;2,3-dimethanidylbutane;methane;bis(yttrium) is C.C[CH-]C(C)c1[c-]cccc1.[CH2-]C(C)C([CH2-])C.[Y].[Y].
What is the InChIKey of butan-2-ylbenzene;2,3-dimethanidylbutane;methane;bis(yttrium)?
The InChIKey is QLVDDJJJHGUUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C6H12.CH4.2Y/c1-3-9(2)10-7-5-4-6-8-10;1-5(2)6(3)4;;;/h3-7,9H,1-2H3;5-6H,1,3H2,2,4H3;1H4;;/q2*-2;;;.
What are the key properties of butan-2-ylbenzene;2,3-dimethanidylbutane;methane;bis(yttrium)?
butan-2-ylbenzene;2,3-dimethanidylbutane;methane;bis(yttrium) has a molecular weight of 410.22 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylbenzene;2,3-dimethanidylbutane;methane;bis(yttrium) is sourced from PubChem (CID 160595680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).