1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium

C19H31Y- — CID 59890611

IUPAC1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium
SMILESC[C-](C)C(C)(C)c1ccc(C(C)(C)C(C)(C)C)cc1.[Y]
InChIInChI=1S/C19H31.Y/c1-14(2)18(6,7)15-10-12-16(13-11-15)19(8,9)17(3,4)5;/h10-13H,1-9H3;/q-1;
InChIKeySUOWFZWPUDHENO-UHFFFAOYSA-N
MW348.36 g/mol
LogP5.90
Rot. Bonds3

About 1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium

1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium (PubChem CID 59890611) has the molecular formula C19H31Y- and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium
PubChem CID59890611
Molecular FormulaC19H31Y-
Molecular Weight348.36 g/mol
Exact Mass348.15
IUPAC Name1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium
SMILESC[C-](C)C(C)(C)c1ccc(C(C)(C)C(C)(C)C)cc1.[Y]
InChIInChI=1S/C19H31.Y/c1-14(2)18(6,7)15-10-12-16(13-11-15)19(8,9)17(3,4)5;/h10-13H,1-9H3;/q-1;
InChIKeySUOWFZWPUDHENO-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.36
LogP ≤ 55.90
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium?
The IUPAC name of 1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium (CID 59890611) is 1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium is C[C-](C)C(C)(C)c1ccc(C(C)(C)C(C)(C)C)cc1.[Y].
What is the InChIKey of 1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium?
The InChIKey is SUOWFZWPUDHENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31.Y/c1-14(2)18(6,7)15-10-12-16(13-11-15)19(8,9)17(3,4)5;/h10-13H,1-9H3;/q-1;.
What are the key properties of 1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium?
1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium has a molecular weight of 348.36 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-yl)-4-(2,3,3-trimethylbutan-2-yl)benzene;yttrium is sourced from PubChem (CID 59890611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).