1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium

C17H30Y — CID 178166385

IUPAC1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
SMILESCC.CCC(CC)c1ccc(C(C)(C)C)cc1.[Y]
InChIInChI=1S/C15H24.C2H6.Y/c1-6-12(7-2)13-8-10-14(11-9-13)15(3,4)5;1-2;/h8-12H,6-7H2,1-5H3;1-2H3;
InChIKeyZKHLEYWEJYLJKL-UHFFFAOYSA-N
MW323.33 g/mol
LogP5.91
Rot. Bonds3

About 1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium

1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium (PubChem CID 178166385) has the molecular formula C17H30Y and a molecular weight of 323.33 g/mol. Its IUPAC name is 1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium.

Molecular Properties

Compound Name1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
PubChem CID178166385
Molecular FormulaC17H30Y
Molecular Weight323.33 g/mol
Exact Mass323.14
IUPAC Name1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
SMILESCC.CCC(CC)c1ccc(C(C)(C)C)cc1.[Y]
InChIInChI=1S/C15H24.C2H6.Y/c1-6-12(7-2)13-8-10-14(11-9-13)15(3,4)5;1-2;/h8-12H,6-7H2,1-5H3;1-2H3;
InChIKeyZKHLEYWEJYLJKL-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.33
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-pentan-3-ylphenyl)propan-2-ol
CID 117295268
1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene
CID 83928771
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid
CID 59034872
1-(4-tert-butylphenyl)-2-ethylbutan-1-ol
CID 63426874
1-(1-bromo-2-ethylbutyl)-4-tert-butylbenzene
CID 63440017
(4-pentan-3-ylphenyl)arsane
CID 173084602
1-(4-tert-butylphenyl)propyl-difluorosilane
CID 173091162
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)-3-(4-pentan-3-ylphenyl)propan-1-one
CID 143696076
1-tert-butyl-4-hept-1-yn-4-ylbenzene
CID 83928759
zinc tetrakis(4-pentan-3-ylpyridine)
CID 50909730

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium?
The IUPAC name of 1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium (CID 178166385) is 1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium.
What is the SMILES notation for 1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium?
The canonical SMILES for 1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium is CC.CCC(CC)c1ccc(C(C)(C)C)cc1.[Y].
What is the InChIKey of 1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium?
The InChIKey is ZKHLEYWEJYLJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C2H6.Y/c1-6-12(7-2)13-8-10-14(11-9-13)15(3,4)5;1-2;/h8-12H,6-7H2,1-5H3;1-2H3;.
What are the key properties of 1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium?
1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium has a molecular weight of 323.33 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium is sourced from PubChem (CID 178166385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).