1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene

C22H30 — CID 22277896

IUPAC1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene
SMILESCCC(C)(c1ccc(C)cc1)C(C)(CC)c1ccc(C)cc1
InChIInChI=1S/C22H30/c1-7-21(5,19-13-9-17(3)10-14-19)22(6,8-2)20-15-11-18(4)12-16-20/h9-16H,7-8H2,1-6H3
InChIKeyMQQANOXLDCOQPR-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.34
Rot. Bonds5

About 1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene

1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene (PubChem CID 22277896) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene
PubChem CID22277896
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene
SMILESCCC(C)(c1ccc(C)cc1)C(C)(CC)c1ccc(C)cc1
InChIInChI=1S/C22H30/c1-7-21(5,19-13-9-17(3)10-14-19)22(6,8-2)20-15-11-18(4)12-16-20/h9-16H,7-8H2,1-6H3
InChIKeyMQQANOXLDCOQPR-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(2-phenylbutan-2-yl)benzene
CID 173298051
1-methyl-4-(1,1,1-trifluoro-2-methylpentan-2-yl)benzene
CID 123349575
1-tert-butyl-4-methylbenzene
CID 163486601
1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene
CID 145063959
3,3-dimethylpentane;ethane;1,4-xylene
CID 142196202
4-[4-(4-carboxyphenyl)-3,4-dimethylhexan-3-yl]benzoic acid
CID 21419765
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
ethane;3-ethyl-3-methylpentane;methane;1,4-xylene
CID 158034603
3-methyl-3-(4-methylphenyl)pentan-1-amine
CID 126514675
butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane
CID 159232750
2-methyl-2-(4-methylphenyl)propan-1-amine;propane
CID 143028408
1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)butan-2-yl]benzene
CID 154521718

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene?
The IUPAC name of 1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene (CID 22277896) is 1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene.
What is the SMILES notation for 1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene?
The canonical SMILES for 1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene is CCC(C)(c1ccc(C)cc1)C(C)(CC)c1ccc(C)cc1.
What is the InChIKey of 1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene?
The InChIKey is MQQANOXLDCOQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-7-21(5,19-13-9-17(3)10-14-19)22(6,8-2)20-15-11-18(4)12-16-20/h9-16H,7-8H2,1-6H3.
What are the key properties of 1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene?
1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene has a molecular weight of 294.48 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene is sourced from PubChem (CID 22277896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).