2,4-ditert-butyl-1,6,7-trimethylnaphthalene

C21H30 — CID 171579051

IUPAC2,4-ditert-butyl-1,6,7-trimethylnaphthalene
SMILESCc1cc2c(C(C)(C)C)cc(C(C)(C)C)c(C)c2cc1C
InChIInChI=1S/C21H30/c1-13-10-16-15(3)18(20(4,5)6)12-19(21(7,8)9)17(16)11-14(13)2/h10-12H,1-9H3
InChIKeyBKZNVGNIQORBJC-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.36
Rot. Bonds

About 2,4-ditert-butyl-1,6,7-trimethylnaphthalene

2,4-ditert-butyl-1,6,7-trimethylnaphthalene (PubChem CID 171579051) has the molecular formula C21H30 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2,4-ditert-butyl-1,6,7-trimethylnaphthalene.

Molecular Properties

Compound Name2,4-ditert-butyl-1,6,7-trimethylnaphthalene
PubChem CID171579051
Molecular FormulaC21H30
Molecular Weight282.47 g/mol
Exact Mass282.23
IUPAC Name2,4-ditert-butyl-1,6,7-trimethylnaphthalene
SMILESCc1cc2c(C(C)(C)C)cc(C(C)(C)C)c(C)c2cc1C
InChIInChI=1S/C21H30/c1-13-10-16-15(3)18(20(4,5)6)12-19(21(7,8)9)17(16)11-14(13)2/h10-12H,1-9H3
InChIKeyBKZNVGNIQORBJC-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene
CID 157157591
2-tert-butyl-4-methoxy-1-methylanthracene
CID 155456277
1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene
CID 173207102
1,3-ditert-butyl-2,5-dimethylbenzene;ethane
CID 158807348
1,6-ditert-butyl-3,8-dimethylpyrene
CID 59510192
4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol
CID 11236289
2-tert-butyl-1,7-dimethyl-4-propan-2-ylnaphthalene
CID 171579039
dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate
CID 11236288
1-bromo-2-tert-butyl-4,5-dimethylbenzene
CID 23588940
2-tert-butyl-4,5-dimethylbenzenethiol
CID 69417288
7-tert-butyl-4,5-dimethyl-1-benzothiophene
CID 134487221
2,4-ditert-butyl-5-methylphenol
CID 10346

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-1,6,7-trimethylnaphthalene?
The IUPAC name of 2,4-ditert-butyl-1,6,7-trimethylnaphthalene (CID 171579051) is 2,4-ditert-butyl-1,6,7-trimethylnaphthalene.
What is the SMILES notation for 2,4-ditert-butyl-1,6,7-trimethylnaphthalene?
The canonical SMILES for 2,4-ditert-butyl-1,6,7-trimethylnaphthalene is Cc1cc2c(C(C)(C)C)cc(C(C)(C)C)c(C)c2cc1C.
What is the InChIKey of 2,4-ditert-butyl-1,6,7-trimethylnaphthalene?
The InChIKey is BKZNVGNIQORBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30/c1-13-10-16-15(3)18(20(4,5)6)12-19(21(7,8)9)17(16)11-14(13)2/h10-12H,1-9H3.
What are the key properties of 2,4-ditert-butyl-1,6,7-trimethylnaphthalene?
2,4-ditert-butyl-1,6,7-trimethylnaphthalene has a molecular weight of 282.47 g/mol, XLogP of 6.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-1,6,7-trimethylnaphthalene is sourced from PubChem (CID 171579051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).