1,2-dimethyl-3,4-dioctylbenzene

C24H42 — CID 175311687

IUPAC1,2-dimethyl-3,4-dioctylbenzene
SMILESCCCCCCCCc1ccc(C)c(C)c1CCCCCCCC
InChIInChI=1S/C24H42/c1-5-7-9-11-13-15-17-23-20-19-21(3)22(4)24(23)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3
InChIKeyPKTZIZWJYGOMGM-UHFFFAOYSA-N
MW330.60 g/mol
LogP8.11
Rot. Bonds14

About 1,2-dimethyl-3,4-dioctylbenzene

1,2-dimethyl-3,4-dioctylbenzene (PubChem CID 175311687) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 1,2-dimethyl-3,4-dioctylbenzene.

Molecular Properties

Compound Name1,2-dimethyl-3,4-dioctylbenzene
PubChem CID175311687
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name1,2-dimethyl-3,4-dioctylbenzene
SMILESCCCCCCCCc1ccc(C)c(C)c1CCCCCCCC
InChIInChI=1S/C24H42/c1-5-7-9-11-13-15-17-23-20-19-21(3)22(4)24(23)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3
InChIKeyPKTZIZWJYGOMGM-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 58.11
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-(bromomethyl)-2-hexadecyl-3,4-dimethylbenzene
CID 70008844
azane;(3,4-dimethyl-2-octylphenyl)methanol
CID 67252247
azane;1-(chloromethyl)-3,4-dimethyl-2-octylbenzene
CID 66778817
2,3-dimethyl-6-octylphenol
CID 141122420
1-bromo-3,4-dimethyl-2-octylbenzene
CID 174984936
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
3,4,9,10-tetradodecylpicene
CID 58426518
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
1,2,3-tri(icosyl)benzene
CID 90987509
(3,4-didecyl-2-methylphenyl)-trihydroxyphosphanium
CID 172806364
1,2-dihexyl-3-methylbenzene
CID 15920121
(2,3-dihexyl-6-nonylphenyl)methanamine
CID 161402444

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,4-dioctylbenzene?
The IUPAC name of 1,2-dimethyl-3,4-dioctylbenzene (CID 175311687) is 1,2-dimethyl-3,4-dioctylbenzene.
What is the SMILES notation for 1,2-dimethyl-3,4-dioctylbenzene?
The canonical SMILES for 1,2-dimethyl-3,4-dioctylbenzene is CCCCCCCCc1ccc(C)c(C)c1CCCCCCCC.
What is the InChIKey of 1,2-dimethyl-3,4-dioctylbenzene?
The InChIKey is PKTZIZWJYGOMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-5-7-9-11-13-15-17-23-20-19-21(3)22(4)24(23)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3.
What are the key properties of 1,2-dimethyl-3,4-dioctylbenzene?
1,2-dimethyl-3,4-dioctylbenzene has a molecular weight of 330.60 g/mol, XLogP of 8.11, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3,4-dioctylbenzene is sourced from PubChem (CID 175311687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).