1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene

C18H22 — CID 123138656

IUPAC1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene
SMILESCC=C(C)C=CC=CC(C)=Cc1ccccc1C
InChIInChI=1S/C18H22/c1-5-15(2)10-6-7-11-16(3)14-18-13-9-8-12-17(18)4/h5-14H,1-4H3
InChIKeyOCJRATOHIZOSLK-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.48
Rot. Bonds4

About 1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene

1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene (PubChem CID 123138656) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene
PubChem CID123138656
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene
SMILESCC=C(C)C=CC=CC(C)=Cc1ccccc1C
InChIInChI=1S/C18H22/c1-5-15(2)10-6-7-11-16(3)14-18-13-9-8-12-17(18)4/h5-14H,1-4H3
InChIKeyOCJRATOHIZOSLK-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene?
The IUPAC name of 1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene (CID 123138656) is 1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene.
What is the SMILES notation for 1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene?
The canonical SMILES for 1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene is CC=C(C)C=CC=CC(C)=Cc1ccccc1C.
What is the InChIKey of 1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene?
The InChIKey is OCJRATOHIZOSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-5-15(2)10-6-7-11-16(3)14-18-13-9-8-12-17(18)4/h5-14H,1-4H3.
What are the key properties of 1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene?
1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene has a molecular weight of 238.37 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethylnona-1,3,5,7-tetraenyl)-2-methylbenzene is sourced from PubChem (CID 123138656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).