1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene

C24H32 — CID 170744428

IUPAC1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene
SMILESC=Cc1cc(CCCCCC)c(-c2cc(C)c(C)cc2C)cc1C
InChIInChI=1S/C24H32/c1-7-9-10-11-12-22-16-21(8-2)19(5)15-24(22)23-14-18(4)17(3)13-20(23)6/h8,13-16H,2,7,9-12H2,1,3-6H3
InChIKeyMIHLGUNHAARSJQ-UHFFFAOYSA-N
MW320.52 g/mol
LogP7.35
Rot. Bonds7

About 1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene

1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene (PubChem CID 170744428) has the molecular formula C24H32 and a molecular weight of 320.52 g/mol. Its IUPAC name is 1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene.

Molecular Properties

Compound Name1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene
PubChem CID170744428
Molecular FormulaC24H32
Molecular Weight320.52 g/mol
Exact Mass320.25
IUPAC Name1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene
SMILESC=Cc1cc(CCCCCC)c(-c2cc(C)c(C)cc2C)cc1C
InChIInChI=1S/C24H32/c1-7-9-10-11-12-22-16-21(8-2)19(5)15-24(22)23-14-18(4)17(3)13-20(23)6/h8,13-16H,2,7,9-12H2,1,3-6H3
InChIKeyMIHLGUNHAARSJQ-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.52
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-4-ethenyl-2,5-diethylbenzene
CID 142098538
5-ethenyl-1,2,3-tripentylbenzene
CID 123244940
1-ethenyl-2-pentylbenzene
CID 22171756
1,3,5-tris-decyl-2-ethenylbenzene
CID 152557926
1,2-bis(ethenyl)-3-octadecylbenzene
CID 18628258
(2-ethenyl-4,6-dihexylphenyl)-trimethylsilane
CID 11325397
1,3-didecyl-2-ethenylbenzene
CID 10572118
1-ethenyl-2-methylbenzene;heptane
CID 173354339
3-dodecyl-4-ethenylpyridine
CID 23503907
azane;2-benzyl-1-ethenyl-3,4-dimethyl-5-octadecylbenzene;hydrochloride
CID 174486040
2-butyl-4-(3-ethenyl-4-methylphenyl)-1-ethylbenzene
CID 123661248
2,4-dimethyl-5-pentadecylphenol
CID 166008290

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene?
The IUPAC name of 1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene (CID 170744428) is 1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene.
What is the SMILES notation for 1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene?
The canonical SMILES for 1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene is C=Cc1cc(CCCCCC)c(-c2cc(C)c(C)cc2C)cc1C.
What is the InChIKey of 1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene?
The InChIKey is MIHLGUNHAARSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32/c1-7-9-10-11-12-22-16-21(8-2)19(5)15-24(22)23-14-18(4)17(3)13-20(23)6/h8,13-16H,2,7,9-12H2,1,3-6H3.
What are the key properties of 1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene?
1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene has a molecular weight of 320.52 g/mol, XLogP of 7.35, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-hexyl-2-methyl-4-(2,4,5-trimethylphenyl)benzene is sourced from PubChem (CID 170744428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).