4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene

C26H38 — CID 23336050

IUPAC4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene
SMILESCCCCCCCCCC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C26H38/c1-6-7-8-9-10-11-12-13-26(24-16-14-20(2)22(4)18-24)25-17-15-21(3)23(5)19-25/h14-19,26H,6-13H2,1-5H3
InChIKeyQFFJDWRBLFZCJD-UHFFFAOYSA-N
MW350.59 g/mol
LogP8.19
Rot. Bonds10

About 4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene

4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene (PubChem CID 23336050) has the molecular formula C26H38 and a molecular weight of 350.59 g/mol. Its IUPAC name is 4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene
PubChem CID23336050
Molecular FormulaC26H38
Molecular Weight350.59 g/mol
Exact Mass350.30
IUPAC Name4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene
SMILESCCCCCCCCCC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C26H38/c1-6-7-8-9-10-11-12-13-26(24-16-14-20(2)22(4)18-24)25-17-15-21(3)23(5)19-25/h14-19,26H,6-13H2,1-5H3
InChIKeyQFFJDWRBLFZCJD-UHFFFAOYSA-N
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 58.19
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

4-[1-(4-hydroxy-3-methylphenyl)octyl]-2-methylphenol
CID 22321255
4-[1-(4-amino-3-methylphenyl)hexyl]-2-methylaniline
CID 174948270
(1R)-1-(3,4-dimethylphenyl)hexan-1-amine;hydrochloride
CID 171200481
4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol
CID 135345606
1-(4-fluoro-3-methylphenyl)octan-1-amine
CID 55186805
4-[1-(4-hydroxy-3-nonylphenyl)nonyl]-2-nonylphenol
CID 135345643
N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
CID 115566559
1-iodo-4-(1-phenylheptyl)benzene
CID 57089203
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)dodecyl]phenyl]dodecyl]phenyl]dodecyl]-3-methylaniline
CID 22919074
4-[1-[4-[1-[4-[1-(4-amino-2-methylphenyl)undecyl]phenyl]hexyl]phenyl]undecyl]-3-methylaniline
CID 22919040
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
4-[1-[4-[1-[4-[1-(4-aminophenyl)decyl]phenyl]pentyl]phenyl]decyl]aniline
CID 22919999

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene (CID 23336050) is 4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene is CCCCCCCCCC(c1ccc(C)c(C)c1)c1ccc(C)c(C)c1.
What is the InChIKey of 4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene?
The InChIKey is QFFJDWRBLFZCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38/c1-6-7-8-9-10-11-12-13-26(24-16-14-20(2)22(4)18-24)25-17-15-21(3)23(5)19-25/h14-19,26H,6-13H2,1-5H3.
What are the key properties of 4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene?
4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene has a molecular weight of 350.59 g/mol, XLogP of 8.19, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dimethylphenyl)decyl]-1,2-dimethylbenzene is sourced from PubChem (CID 23336050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).