1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene

C21H28 — CID 22920116

IUPAC1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(CCCCCc2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H28/c1-16-10-17(2)13-20(12-16)8-6-5-7-9-21-14-18(3)11-19(4)15-21/h10-15H,5-9H2,1-4H3
InChIKeyBOTGVGDHJRRVGP-UHFFFAOYSA-N
MW280.46 g/mol
LogP5.88
Rot. Bonds6

About 1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene

1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene (PubChem CID 22920116) has the molecular formula C21H28 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene
PubChem CID22920116
Molecular FormulaC21H28
Molecular Weight280.46 g/mol
Exact Mass280.22
IUPAC Name1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(CCCCCc2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H28/c1-16-10-17(2)13-20(12-16)8-6-5-7-9-21-14-18(3)11-19(4)15-21/h10-15H,5-9H2,1-4H3
InChIKeyBOTGVGDHJRRVGP-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.46
LogP ≤ 55.88
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-methyl-3,5-di(pentadecyl)benzene
CID 58289216
3-(3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 54776136
1-ethyl-3-methyl-5-pentylbenzene
CID 142401293
1,3-dimethyl-5-pent-4-ynylbenzene
CID 134966774
bromo-[3-(3,5-dimethylphenyl)propyl]phosphane
CID 168765267
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine
CID 83908581
chloro-[3-(3,5-dimethylphenyl)propoxy]phosphane
CID 168765246
1,3-bis(3-hexyl-5-methylphenyl)-5-iodobenzene
CID 122546399
1-(chloromethyl)-3-(3-chloropropyl)-5-methylbenzene
CID 131432314
2-[11-(3,5-dimethylphenyl)undecyl]-1H-benzimidazole
CID 3094288
4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene (CID 22920116) is 1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene is Cc1cc(C)cc(CCCCCc2cc(C)cc(C)c2)c1.
What is the InChIKey of 1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene?
The InChIKey is BOTGVGDHJRRVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28/c1-16-10-17(2)13-20(12-16)8-6-5-7-9-21-14-18(3)11-19(4)15-21/h10-15H,5-9H2,1-4H3.
What are the key properties of 1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene?
1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene has a molecular weight of 280.46 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene is sourced from PubChem (CID 22920116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).