1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene

C20H34 — CID 57303246

IUPAC1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene
SMILESCC(Cc1ccc(C(C)(C)C)cc1)CC(C)C(C)(C)C
InChIInChI=1S/C20H34/c1-15(13-16(2)19(3,4)5)14-17-9-11-18(12-10-17)20(6,7)8/h9-12,15-16H,13-14H2,1-8H3
InChIKeyNPCHVRHABDNPBU-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.24
Rot. Bonds4

About 1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene

1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene (PubChem CID 57303246) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene
PubChem CID57303246
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene
SMILESCC(Cc1ccc(C(C)(C)C)cc1)CC(C)C(C)(C)C
InChIInChI=1S/C20H34/c1-15(13-16(2)19(3,4)5)14-17-9-11-18(12-10-17)20(6,7)8/h9-12,15-16H,13-14H2,1-8H3
InChIKeyNPCHVRHABDNPBU-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(4-tert-butylphenyl)-4-methylpentan-2-ol
CID 64719679
5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine
CID 64719182
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515
1-tert-butyl-4-(1-chloro-3,4,4-trimethylpentyl)benzene
CID 63833834
3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine
CID 63401736
1-bromo-4-(2-bromo-4,5,5-trimethylhexyl)benzene
CID 63834724
2-amino-4-[(2R)-2,4,5,5-tetramethylhexyl]phenol;carbon dioxide
CID 158506742
4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015179
1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine
CID 13251981
bis(4-tert-butylphenyl)-[4-(2-methylpropyl)phenyl]sulfanium
CID 58260924
2-(4-tert-butylphenyl)-1-cyclopropylethanol
CID 62608769
1-(3-bromo-2-ethylbutyl)-4-tert-butylbenzene
CID 63471410

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene?
The IUPAC name of 1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene (CID 57303246) is 1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene is CC(Cc1ccc(C(C)(C)C)cc1)CC(C)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene?
The InChIKey is NPCHVRHABDNPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-15(13-16(2)19(3,4)5)14-17-9-11-18(12-10-17)20(6,7)8/h9-12,15-16H,13-14H2,1-8H3.
What are the key properties of 1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene?
1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene has a molecular weight of 274.49 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene is sourced from PubChem (CID 57303246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).