1,2,4-tritert-butyl-3-methylbenzene

C19H32 — CID 140854295

IUPAC1,2,4-tritert-butyl-3-methylbenzene
SMILESCc1c(C(C)(C)C)ccc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C19H32/c1-13-14(17(2,3)4)11-12-15(18(5,6)7)16(13)19(8,9)10/h11-12H,1-10H3
InChIKeySHKUMSBRYXXDIY-UHFFFAOYSA-N
MW260.46 g/mol
LogP5.89
Rot. Bonds

About 1,2,4-tritert-butyl-3-methylbenzene

1,2,4-tritert-butyl-3-methylbenzene (PubChem CID 140854295) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1,2,4-tritert-butyl-3-methylbenzene.

Molecular Properties

Compound Name1,2,4-tritert-butyl-3-methylbenzene
PubChem CID140854295
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1,2,4-tritert-butyl-3-methylbenzene
SMILESCc1c(C(C)(C)C)ccc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C19H32/c1-13-14(17(2,3)4)11-12-15(18(5,6)7)16(13)19(8,9)10/h11-12H,1-10H3
InChIKeySHKUMSBRYXXDIY-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-2,3,4-trimethylbenzene
CID 19367867
bis(2,4-ditert-butyl-3-methylphenyl) methyl phosphite
CID 54534600
4-tert-butyl-2-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-3-methylphenol
CID 154698839
1,2-ditert-butyl-3-methylbenzene;bis(2,2-dimethylpropane)
CID 161097372
4-tert-butyl-3-methylbenzene-1,2-diol
CID 21136547
1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene
CID 157157591
2,3-ditert-butyl-6-sulfanylphenol
CID 19391852
3-tert-butyl-2-(3-tert-butyl-6-methyl-2-pyridinyl)-6-methylpyridine
CID 101192388
4-tert-butyl-2-[(3-tert-butyl-6-hydroxy-2-methylphenyl)methyl]-3-methylphenol
CID 141209044
2,3-ditert-butylbenzenethiol
CID 22629957
1-tert-butyl-4-(1,1-difluoroethoxy)-2,3-dimethylbenzene
CID 90450784
1-tert-butyl-2,3-dimethylbenzene;isocyanic acid
CID 87249720

Frequently Asked Questions

What is the IUPAC name of 1,2,4-tritert-butyl-3-methylbenzene?
The IUPAC name of 1,2,4-tritert-butyl-3-methylbenzene (CID 140854295) is 1,2,4-tritert-butyl-3-methylbenzene.
What is the SMILES notation for 1,2,4-tritert-butyl-3-methylbenzene?
The canonical SMILES for 1,2,4-tritert-butyl-3-methylbenzene is Cc1c(C(C)(C)C)ccc(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 1,2,4-tritert-butyl-3-methylbenzene?
The InChIKey is SHKUMSBRYXXDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-13-14(17(2,3)4)11-12-15(18(5,6)7)16(13)19(8,9)10/h11-12H,1-10H3.
What are the key properties of 1,2,4-tritert-butyl-3-methylbenzene?
1,2,4-tritert-butyl-3-methylbenzene has a molecular weight of 260.46 g/mol, XLogP of 5.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tritert-butyl-3-methylbenzene is sourced from PubChem (CID 140854295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).