1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene

C35H58 — CID 157157591

IUPAC1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene
SMILESCc1c(C(C)(C)C)cc(C(C)(C)C)c(C)c1C.Cc1c(C)c(C)c(C(C)(C)C)c(C(C)(C)C)c1C
InChIInChI=1S/C18H30.C17H28/c1-11-12(2)14(4)16(18(8,9)10)15(13(11)3)17(5,6)7;1-11-12(2)14(16(4,5)6)10-15(13(11)3)17(7,8)9/h1-10H3;10H,1-9H3
InChIKeyALZOXFVBMGXXRT-UHFFFAOYSA-N
MW478.85 g/mol
LogP10.72
Rot. Bonds

About 1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene

1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene (PubChem CID 157157591) has the molecular formula C35H58 and a molecular weight of 478.85 g/mol. Its IUPAC name is 1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene.

Molecular Properties

Compound Name1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene
PubChem CID157157591
Molecular FormulaC35H58
Molecular Weight478.85 g/mol
Exact Mass478.45
IUPAC Name1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene
SMILESCc1c(C(C)(C)C)cc(C(C)(C)C)c(C)c1C.Cc1c(C)c(C)c(C(C)(C)C)c(C(C)(C)C)c1C
InChIInChI=1S/C18H30.C17H28/c1-11-12(2)14(4)16(18(8,9)10)15(13(11)3)17(5,6)7;1-11-12(2)14(16(4,5)6)10-15(13(11)3)17(7,8)9/h1-10H3;10H,1-9H3
InChIKeyALZOXFVBMGXXRT-UHFFFAOYSA-N
XLogP10.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.85
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-ditert-butyl-1,6,7-trimethylnaphthalene
CID 171579051
1,3-ditert-butyl-2,5-dimethylbenzene;ethane
CID 158807348
1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene
CID 158215736
4,6-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxy-6-methylphenyl)-3-methylphenol
CID 11236289
1,2,4-tritert-butyl-3-methylbenzene
CID 140854295
2,6-ditert-butyl-3,4-dimethylbenzenethiol
CID 87823915
dilithium;4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-6-oxidophenyl)-3-methylphenolate
CID 11236288
1,2,3,5-tetratert-butylbenzene
CID 18679123
2-bromo-1,3,5-tritert-butyl-4-fluorobenzene
CID 71355768
1-tert-butyl-3,5-diiodo-2-methylbenzene
CID 146354374
1,2-ditert-butyl-3,5-dimethylbenzene
CID 159753674
3,5-ditert-butyl-2-methylaniline
CID 143364631

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene?
The IUPAC name of 1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene (CID 157157591) is 1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene.
What is the SMILES notation for 1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene?
The canonical SMILES for 1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene is Cc1c(C(C)(C)C)cc(C(C)(C)C)c(C)c1C.Cc1c(C)c(C)c(C(C)(C)C)c(C(C)(C)C)c1C.
What is the InChIKey of 1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene?
The InChIKey is ALZOXFVBMGXXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.C17H28/c1-11-12(2)14(4)16(18(8,9)10)15(13(11)3)17(5,6)7;1-11-12(2)14(16(4,5)6)10-15(13(11)3)17(7,8)9/h1-10H3;10H,1-9H3.
What are the key properties of 1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene?
1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene has a molecular weight of 478.85 g/mol, XLogP of 10.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene is sourced from PubChem (CID 157157591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).