1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene

C26H34 — CID 159784844

IUPAC1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene
SMILESCc1ccc(C(C)(C)C)cc1.Cc1ccc2cc(C(C)(C)C)ccc2c1
InChIInChI=1S/C15H18.C11H16/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-9-5-7-10(8-6-9)11(2,3)4/h5-10H,1-4H3;5-8H,1-4H3
InChIKeyNHUXZMMURMPDFX-UHFFFAOYSA-N
MW346.56 g/mol
LogP7.74
Rot. Bonds

About 1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene

1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene (PubChem CID 159784844) has the molecular formula C26H34 and a molecular weight of 346.56 g/mol. Its IUPAC name is 1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene.

Molecular Properties

Compound Name1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene
PubChem CID159784844
Molecular FormulaC26H34
Molecular Weight346.56 g/mol
Exact Mass346.27
IUPAC Name1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene
SMILESCc1ccc(C(C)(C)C)cc1.Cc1ccc2cc(C(C)(C)C)ccc2c1
InChIInChI=1S/C15H18.C11H16/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-9-5-7-10(8-6-9)11(2,3)4/h5-10H,1-4H3;5-8H,1-4H3
InChIKeyNHUXZMMURMPDFX-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-6-methylnaphthalene;2-tert-butyl-7-methylnaphthalene
CID 161399944
1-tert-butyl-4-methylbenzene
CID 163486601
2,6-ditert-butylanthracene
CID 15740416
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
2-methyl-2-(6-methylnaphthalen-2-yl)propane-1-thiol
CID 116866524
6-tert-butyl-2-methyl-1,3-benzothiazole;2-tert-butyl-6-methylnaphthalene
CID 158521630
1,1-difluoro-2-methyl-1-(6-methylnaphthalen-2-yl)propan-2-amine
CID 116839473
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457
2,9-dimethylpentacene
CID 11460950
2-methyl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 162565704
1-tert-butyl-4-methylbenzene;dibromozinc
CID 174651577
2-(4-tert-butylphenyl)-5-methyl-1H-indole
CID 36688009

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene?
The IUPAC name of 1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene (CID 159784844) is 1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene.
What is the SMILES notation for 1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene?
The canonical SMILES for 1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene is Cc1ccc(C(C)(C)C)cc1.Cc1ccc2cc(C(C)(C)C)ccc2c1.
What is the InChIKey of 1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene?
The InChIKey is NHUXZMMURMPDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C11H16/c1-11-5-6-13-10-14(15(2,3)4)8-7-12(13)9-11;1-9-5-7-10(8-6-9)11(2,3)4/h5-10H,1-4H3;5-8H,1-4H3.
What are the key properties of 1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene?
1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene has a molecular weight of 346.56 g/mol, XLogP of 7.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylbenzene;2-tert-butyl-6-methylnaphthalene is sourced from PubChem (CID 159784844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).