4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene

C22H30 — CID 144549568

IUPAC4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene
SMILESC=C.Cc1ccc(CCC(C)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C20H26.C2H4/c1-14-6-9-19(12-17(14)4)10-7-16(3)20-11-8-15(2)18(5)13-20;1-2/h6,8-9,11-13,16H,7,10H2,1-5H3;1-2H2
InChIKeyKSZGZAZJYFLDIJ-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.46
Rot. Bonds4

About 4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene

4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene (PubChem CID 144549568) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene.

Molecular Properties

Compound Name4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene
PubChem CID144549568
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene
SMILESC=C.Cc1ccc(CCC(C)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C20H26.C2H4/c1-14-6-9-19(12-17(14)4)10-7-16(3)20-11-8-15(2)18(5)13-20;1-2/h6,8-9,11-13,16H,7,10H2,1-5H3;1-2H2
InChIKeyKSZGZAZJYFLDIJ-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene?
The IUPAC name of 4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene (CID 144549568) is 4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene.
What is the SMILES notation for 4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene?
The canonical SMILES for 4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene is C=C.Cc1ccc(CCC(C)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene?
The InChIKey is KSZGZAZJYFLDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26.C2H4/c1-14-6-9-19(12-17(14)4)10-7-16(3)20-11-8-15(2)18(5)13-20;1-2/h6,8-9,11-13,16H,7,10H2,1-5H3;1-2H2.
What are the key properties of 4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene?
4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene has a molecular weight of 294.48 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dimethylphenyl)butan-2-yl]-1,2-dimethylbenzene;ethene is sourced from PubChem (CID 144549568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).