1-tert-butyl-3-[(3-tert-butyl-2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene

C25H36 — CID 71393928

IUPAC1-tert-butyl-3-[(3-tert-butyl-2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
SMILESCc1cc(Cc2cc(C)cc(C(C)(C)C)c2C)c(C)c(C(C)(C)C)c1
InChIInChI=1S/C25H36/c1-16-11-20(18(3)22(13-16)24(5,6)7)15-21-12-17(2)14-23(19(21)4)25(8,9)10/h11-14H,15H2,1-10H3
InChIKeyKCWYCXOREJUHSL-UHFFFAOYSA-N
MW336.56 g/mol
LogP7.11
Rot. Bonds2

About 1-tert-butyl-3-[(3-tert-butyl-2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene

1-tert-butyl-3-[(3-tert-butyl-2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene (PubChem CID 71393928) has the molecular formula C25H36 and a molecular weight of 336.56 g/mol. Its IUPAC name is 1-tert-butyl-3-[(3-tert-butyl-2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-tert-butyl-3-[(3-tert-butyl-2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
PubChem CID71393928
Molecular FormulaC25H36
Molecular Weight336.56 g/mol
Exact Mass336.28
IUPAC Name1-tert-butyl-3-[(3-tert-butyl-2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
SMILESCc1cc(Cc2cc(C)cc(C(C)(C)C)c2C)c(C)c(C(C)(C)C)c1
InChIInChI=1S/C25H36/c1-16-11-20(18(3)22(13-16)24(5,6)7)15-21-12-17(2)14-23(19(21)4)25(8,9)10/h11-14H,15H2,1-10H3
InChIKeyKCWYCXOREJUHSL-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(3-tert-butyl-2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene?
The IUPAC name of 1-tert-butyl-3-[(3-tert-butyl-2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene (CID 71393928) is 1-tert-butyl-3-[(3-tert-butyl-2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene.
What is the SMILES notation for 1-tert-butyl-3-[(3-tert-butyl-2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene?
The canonical SMILES for 1-tert-butyl-3-[(3-tert-butyl-2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene is Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2C)c(C)c(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-[(3-tert-butyl-2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene?
The InChIKey is KCWYCXOREJUHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36/c1-16-11-20(18(3)22(13-16)24(5,6)7)15-21-12-17(2)14-23(19(21)4)25(8,9)10/h11-14H,15H2,1-10H3.
What are the key properties of 1-tert-butyl-3-[(3-tert-butyl-2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene?
1-tert-butyl-3-[(3-tert-butyl-2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene has a molecular weight of 336.56 g/mol, XLogP of 7.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(3-tert-butyl-2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene is sourced from PubChem (CID 71393928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).