1-(4,7-dimethyloctan-4-yl)-4-methylbenzene

C17H28 — CID 142145973

IUPAC1-(4,7-dimethyloctan-4-yl)-4-methylbenzene
SMILESCCCC(C)(CCC(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H28/c1-6-12-17(5,13-11-14(2)3)16-9-7-15(4)8-10-16/h7-10,14H,6,11-13H2,1-5H3
InChIKeyLJLWFQSDGXCWTG-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.49
Rot. Bonds6

About 1-(4,7-dimethyloctan-4-yl)-4-methylbenzene

1-(4,7-dimethyloctan-4-yl)-4-methylbenzene (PubChem CID 142145973) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1-(4,7-dimethyloctan-4-yl)-4-methylbenzene.

Molecular Properties

Compound Name1-(4,7-dimethyloctan-4-yl)-4-methylbenzene
PubChem CID142145973
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1-(4,7-dimethyloctan-4-yl)-4-methylbenzene
SMILESCCCC(C)(CCC(C)C)c1ccc(C)cc1
InChIInChI=1S/C17H28/c1-6-12-17(5,13-11-14(2)3)16-9-7-15(4)8-10-16/h7-10,14H,6,11-13H2,1-5H3
InChIKeyLJLWFQSDGXCWTG-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethyloctan-4-yl)-4-methylbenzene?
The IUPAC name of 1-(4,7-dimethyloctan-4-yl)-4-methylbenzene (CID 142145973) is 1-(4,7-dimethyloctan-4-yl)-4-methylbenzene.
What is the SMILES notation for 1-(4,7-dimethyloctan-4-yl)-4-methylbenzene?
The canonical SMILES for 1-(4,7-dimethyloctan-4-yl)-4-methylbenzene is CCCC(C)(CCC(C)C)c1ccc(C)cc1.
What is the InChIKey of 1-(4,7-dimethyloctan-4-yl)-4-methylbenzene?
The InChIKey is LJLWFQSDGXCWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-6-12-17(5,13-11-14(2)3)16-9-7-15(4)8-10-16/h7-10,14H,6,11-13H2,1-5H3.
What are the key properties of 1-(4,7-dimethyloctan-4-yl)-4-methylbenzene?
1-(4,7-dimethyloctan-4-yl)-4-methylbenzene has a molecular weight of 232.41 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethyloctan-4-yl)-4-methylbenzene is sourced from PubChem (CID 142145973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).