1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene

C16H26 — CID 177164179

IUPAC1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene
SMILESCCc1c(C)c(C)c(C)c(C(C)(C)C)c1C
InChIInChI=1S/C16H26/c1-9-14-11(3)10(2)12(4)15(13(14)5)16(6,7)8/h9H2,1-8H3
InChIKeyMZRRELLRMDKRLW-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.78
Rot. Bonds1

About 1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene

1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene (PubChem CID 177164179) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene
PubChem CID177164179
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene
SMILESCCc1c(C)c(C)c(C)c(C(C)(C)C)c1C
InChIInChI=1S/C16H26/c1-9-14-11(3)10(2)12(4)15(13(14)5)16(6,7)8/h9H2,1-8H3
InChIKeyMZRRELLRMDKRLW-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2,3,5,6-tetramethyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]benzene
CID 20685020
1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene
CID 158215736
1,2,3,4-tetramethyl-5,6-bis(3-methylpentan-3-yl)benzene
CID 90880331
5-tert-butyl-2,3,4,6,7-pentamethyl-1-benzothiophene
CID 70331323
1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane
CID 91195776
1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene
CID 59872066
N-[(2-tert-butyl-3,4,5,6-tetramethylphenyl)methyl]-N-methylprop-1-en-2-amine
CID 163549393
1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene
CID 91325088
1,2-ditert-butyl-3,4,5,6-tetramethylbenzene;1,5-ditert-butyl-2,3,4-trimethylbenzene
CID 157157591
(3-ethyl-2,4,5,6-tetramethylphenyl)methanesulfonic acid
CID 167660292
4-[(3,5-ditert-butyl-2,4,6-trimethylphenyl)methyl]phenol
CID 175079940
3,5-ditert-butyl-2,4,6-trimethylphenol
CID 19934176

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene?
The IUPAC name of 1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene (CID 177164179) is 1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene.
What is the SMILES notation for 1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene?
The canonical SMILES for 1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene is CCc1c(C)c(C)c(C)c(C(C)(C)C)c1C.
What is the InChIKey of 1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene?
The InChIKey is MZRRELLRMDKRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-9-14-11(3)10(2)12(4)15(13(14)5)16(6,7)8/h9H2,1-8H3.
What are the key properties of 1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene?
1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene has a molecular weight of 218.38 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene is sourced from PubChem (CID 177164179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).