1-(6-ethyloctyl)-4-octylbenzene

C24H42 — CID 142518839

IUPAC1-(6-ethyloctyl)-4-octylbenzene
SMILESCCCCCCCCc1ccc(CCCCCC(CC)CC)cc1
InChIInChI=1S/C24H42/c1-4-7-8-9-10-12-16-23-18-20-24(21-19-23)17-14-11-13-15-22(5-2)6-3/h18-22H,4-17H2,1-3H3
InChIKeyCXOKVMJPZNFSNW-UHFFFAOYSA-N
MW330.60 g/mol
LogP8.13
Rot. Bonds15

About 1-(6-ethyloctyl)-4-octylbenzene

1-(6-ethyloctyl)-4-octylbenzene (PubChem CID 142518839) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 1-(6-ethyloctyl)-4-octylbenzene.

Molecular Properties

Compound Name1-(6-ethyloctyl)-4-octylbenzene
PubChem CID142518839
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name1-(6-ethyloctyl)-4-octylbenzene
SMILESCCCCCCCCc1ccc(CCCCCC(CC)CC)cc1
InChIInChI=1S/C24H42/c1-4-7-8-9-10-12-16-23-18-20-24(21-19-23)17-14-11-13-15-22(5-2)6-3/h18-22H,4-17H2,1-3H3
InChIKeyCXOKVMJPZNFSNW-UHFFFAOYSA-N
XLogP8.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 58.13
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-(8-methylnonyl)-4-pentylbenzene
CID 158864216
1-(6-methylheptyl)-4-pentylbenzene
CID 158425503
1-butyl-4-nonylbenzene
CID 59545302
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
3-ethylundecylbenzene
CID 101046196
1-hexadecyl-4-[1-(4-hexadecylphenyl)hexadecyl]benzene
CID 21436596
2-ethylhexyl-trihydroxy-(4-octylphenyl)-λ5-phosphane
CID 57189480
ethane;3-ethylundecane
CID 144815521
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
4-(3-heptyldodecyl)phenol
CID 118876079

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyloctyl)-4-octylbenzene?
The IUPAC name of 1-(6-ethyloctyl)-4-octylbenzene (CID 142518839) is 1-(6-ethyloctyl)-4-octylbenzene.
What is the SMILES notation for 1-(6-ethyloctyl)-4-octylbenzene?
The canonical SMILES for 1-(6-ethyloctyl)-4-octylbenzene is CCCCCCCCc1ccc(CCCCCC(CC)CC)cc1.
What is the InChIKey of 1-(6-ethyloctyl)-4-octylbenzene?
The InChIKey is CXOKVMJPZNFSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-4-7-8-9-10-12-16-23-18-20-24(21-19-23)17-14-11-13-15-22(5-2)6-3/h18-22H,4-17H2,1-3H3.
What are the key properties of 1-(6-ethyloctyl)-4-octylbenzene?
1-(6-ethyloctyl)-4-octylbenzene has a molecular weight of 330.60 g/mol, XLogP of 8.13, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyloctyl)-4-octylbenzene is sourced from PubChem (CID 142518839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).