1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene

C26H34 — CID 59872066

IUPAC1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene
SMILESCCc1c(C)c(C)c(C#Cc2c(C)c(C)c(CC)c(C)c2C)c(C)c1C
InChIInChI=1S/C26H34/c1-11-23-15(3)19(7)25(20(8)16(23)4)13-14-26-21(9)17(5)24(12-2)18(6)22(26)10/h11-12H2,1-10H3
InChIKeyNZJJIFKWHVPYAF-UHFFFAOYSA-N
MW346.56 g/mol
LogP6.68
Rot. Bonds2

About 1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene

1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene (PubChem CID 59872066) has the molecular formula C26H34 and a molecular weight of 346.56 g/mol. Its IUPAC name is 1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene
PubChem CID59872066
Molecular FormulaC26H34
Molecular Weight346.56 g/mol
Exact Mass346.27
IUPAC Name1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene
SMILESCCc1c(C)c(C)c(C#Cc2c(C)c(C)c(CC)c(C)c2C)c(C)c1C
InChIInChI=1S/C26H34/c1-11-23-15(3)19(7)25(20(8)16(23)4)13-14-26-21(9)17(5)24(12-2)18(6)22(26)10/h11-12H2,1-10H3
InChIKeyNZJJIFKWHVPYAF-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-but-1-ynyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene
CID 59872093
1-ethyl-2,3,5,6-tetramethyl-4-[(2,3,4,5,6-pentamethylphenyl)methyl]benzene
CID 20685020
1-ethyl-4-(fluoromethyl)-2,3,5,6-tetramethylbenzene;fluoromethane
CID 91195776
1,4-diethyl-2,3,5-trimethyl-6-propan-2-ylbenzene
CID 91325088
1,2,3-tribromo-5-ethyl-4,6-dimethylbenzene
CID 87780827
1-tert-butyl-3-ethyl-2,4,5,6-tetramethylbenzene
CID 177164179
1-(cyclopropen-1-yl)-2-ethyl-3,4,5,6-tetramethylbenzene
CID 123254762
ethanol;1-ethoxy-2,3,5,6-tetramethyl-4-[2-[2,3,5,6-tetramethyl-4-(2,3,5,6-tetramethylbenzene-4-id-1-yl)phenyl]ethynyl]benzene;tungsten
CID 59872030
4,5-diethyl-3,6-dimethylbenzene-1,2-diamine
CID 174838412
4,6-diamino-5-ethyl-2-methylbenzene-1,3-dithiol
CID 123643667
1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene
CID 140985823
(3-ethyl-2,4,5,6-tetramethylphenyl)methanesulfonic acid
CID 167660292

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene?
The IUPAC name of 1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene (CID 59872066) is 1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene.
What is the SMILES notation for 1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene?
The canonical SMILES for 1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene is CCc1c(C)c(C)c(C#Cc2c(C)c(C)c(CC)c(C)c2C)c(C)c1C.
What is the InChIKey of 1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene?
The InChIKey is NZJJIFKWHVPYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34/c1-11-23-15(3)19(7)25(20(8)16(23)4)13-14-26-21(9)17(5)24(12-2)18(6)22(26)10/h11-12H2,1-10H3.
What are the key properties of 1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene?
1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene has a molecular weight of 346.56 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[2-(4-ethyl-2,3,5,6-tetramethylphenyl)ethynyl]-2,3,5,6-tetramethylbenzene is sourced from PubChem (CID 59872066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).