2-tert-butyl-1,3,5-triethylbenzene

C16H26 — CID 140660512

IUPAC2-tert-butyl-1,3,5-triethylbenzene
SMILESCCc1cc(CC)c(C(C)(C)C)c(CC)c1
InChIInChI=1S/C16H26/c1-7-12-10-13(8-2)15(16(4,5)6)14(9-3)11-12/h10-11H,7-9H2,1-6H3
InChIKeyWZOBWXRHSNCJFE-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.67
Rot. Bonds3

About 2-tert-butyl-1,3,5-triethylbenzene

2-tert-butyl-1,3,5-triethylbenzene (PubChem CID 140660512) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 2-tert-butyl-1,3,5-triethylbenzene.

Molecular Properties

Compound Name2-tert-butyl-1,3,5-triethylbenzene
PubChem CID140660512
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name2-tert-butyl-1,3,5-triethylbenzene
SMILESCCc1cc(CC)c(C(C)(C)C)c(CC)c1
InChIInChI=1S/C16H26/c1-7-12-10-13(8-2)15(16(4,5)6)14(9-3)11-12/h10-11H,7-9H2,1-6H3
InChIKeyWZOBWXRHSNCJFE-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-1,3,5-tripropylbenzene
CID 123952647
1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene
CID 148992984
(2,4,6-triethylphenyl)aluminum(2+)
CID 22768319
1,3,5-triethyl-2-(2,4,6-triethylphenyl)sulfonylbenzene
CID 56983277
(2-tert-butyl-3-ethylphenyl)methanol
CID 158088532
1,1-bis(2,6-ditert-butyl-4-ethylphenyl)-2,2-dimethylpropan-1-ol
CID 158209428
lithium;hydride;1,3,5-triethylbenzene
CID 174873379
3,5-diethyl-2-methylaniline
CID 105432272
2,4,6-triethylbenzenesulfinic acid
CID 21257200
2,4,6-triethylbenzoyl iodide
CID 139959913
3-tert-butyl-1-chloro-2,4-difluorobenzene;2-tert-butyl-1,3-diethyl-5-methylbenzene;2-tert-butyl-1,3,4-trifluorobenzene;2-tert-butyl-1,3,5-trifluorobenzene;bis(2-tert-butyl-1,3,5-trimethylbenzene)
CID 158553483
2,3-ditert-butyl-4-ethylphenol
CID 18994457

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,5-triethylbenzene?
The IUPAC name of 2-tert-butyl-1,3,5-triethylbenzene (CID 140660512) is 2-tert-butyl-1,3,5-triethylbenzene.
What is the SMILES notation for 2-tert-butyl-1,3,5-triethylbenzene?
The canonical SMILES for 2-tert-butyl-1,3,5-triethylbenzene is CCc1cc(CC)c(C(C)(C)C)c(CC)c1.
What is the InChIKey of 2-tert-butyl-1,3,5-triethylbenzene?
The InChIKey is WZOBWXRHSNCJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-7-12-10-13(8-2)15(16(4,5)6)14(9-3)11-12/h10-11H,7-9H2,1-6H3.
What are the key properties of 2-tert-butyl-1,3,5-triethylbenzene?
2-tert-butyl-1,3,5-triethylbenzene has a molecular weight of 218.38 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3,5-triethylbenzene is sourced from PubChem (CID 140660512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).