1,2-ditert-butyl-3,5-dimethylbenzene

C16H26 — CID 159753674

IUPAC1,2-ditert-butyl-3,5-dimethylbenzene
SMILESCc1cc(C)c(C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C16H26/c1-11-9-12(2)14(16(6,7)8)13(10-11)15(3,4)5/h9-10H,1-8H3
InChIKeyIQXNBVVYCWOBSM-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.90
Rot. Bonds

About 1,2-ditert-butyl-3,5-dimethylbenzene

1,2-ditert-butyl-3,5-dimethylbenzene (PubChem CID 159753674) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1,2-ditert-butyl-3,5-dimethylbenzene.

Molecular Properties

Compound Name1,2-ditert-butyl-3,5-dimethylbenzene
PubChem CID159753674
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1,2-ditert-butyl-3,5-dimethylbenzene
SMILESCc1cc(C)c(C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C16H26/c1-11-9-12(2)14(16(6,7)8)13(10-11)15(3,4)5/h9-10H,1-8H3
InChIKeyIQXNBVVYCWOBSM-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-3,5-dimethylbenzenethiol
CID 69414331
2-tert-butyl-4,6-dimethylphenol
CID 87814182
lithium 2-tert-butyl-4,6-dimethylphenolate
CID 23711471
1,3-ditert-butyl-2,5-dimethylbenzene;ethane
CID 158807348
10-tert-butyl-1,3,6,8-tetramethylanthracene
CID 59821346
1,2,3,5-tetratert-butylbenzene
CID 18679123
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
calcium bis(2,6-ditert-butyl-4-methylphenolate)
CID 162348693
bis[2-(2,4,6-trimethylphenyl)propan-2-yl]diazene
CID 10247336
1,2-ditert-butyl-3,4-dimethylbenzene;1,2-ditert-butyl-3,5-dimethylbenzene;1,2-ditert-butyl-4,5-dimethylbenzene;2,3-ditert-butyl-1,4-dimethylbenzene;1,2-ditert-butyl-3-methylbenzene;1,2-ditert-butyl-4-methylbenzene;1,2-ditert-butyl-3,4,5-trimethylbenzene;1,2,4-tritert-butyl-3,5,6-trimethylbenzene
CID 161162922

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-3,5-dimethylbenzene?
The IUPAC name of 1,2-ditert-butyl-3,5-dimethylbenzene (CID 159753674) is 1,2-ditert-butyl-3,5-dimethylbenzene.
What is the SMILES notation for 1,2-ditert-butyl-3,5-dimethylbenzene?
The canonical SMILES for 1,2-ditert-butyl-3,5-dimethylbenzene is Cc1cc(C)c(C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 1,2-ditert-butyl-3,5-dimethylbenzene?
The InChIKey is IQXNBVVYCWOBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-11-9-12(2)14(16(6,7)8)13(10-11)15(3,4)5/h9-10H,1-8H3.
What are the key properties of 1,2-ditert-butyl-3,5-dimethylbenzene?
1,2-ditert-butyl-3,5-dimethylbenzene has a molecular weight of 218.38 g/mol, XLogP of 4.90, 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-3,5-dimethylbenzene is sourced from PubChem (CID 159753674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).