1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene

C17H24O2S — CID 10661344

IUPAC1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene
SMILESC=CC(C)(CCC=C(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H24O2S/c1-6-17(5,13-7-8-14(2)3)20(18,19)16-11-9-15(4)10-12-16/h6,8-12H,1,7,13H2,2-5H3
InChIKeyJYAVTWXJEDLURR-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.46
Rot. Bonds6

About 1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene

1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene (PubChem CID 10661344) has the molecular formula C17H24O2S and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene
PubChem CID10661344
Molecular FormulaC17H24O2S
Molecular Weight292.44 g/mol
Exact Mass292.15
IUPAC Name1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene
SMILESC=CC(C)(CCC=C(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H24O2S/c1-6-17(5,13-7-8-14(2)3)20(18,19)16-11-9-15(4)10-12-16/h6,8-12H,1,7,13H2,2-5H3
InChIKeyJYAVTWXJEDLURR-UHFFFAOYSA-N
XLogP4.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene?
The IUPAC name of 1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene (CID 10661344) is 1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene.
What is the SMILES notation for 1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene?
The canonical SMILES for 1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene is C=CC(C)(CCC=C(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene?
The InChIKey is JYAVTWXJEDLURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2S/c1-6-17(5,13-7-8-14(2)3)20(18,19)16-11-9-15(4)10-12-16/h6,8-12H,1,7,13H2,2-5H3.
What are the key properties of 1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene?
1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene has a molecular weight of 292.44 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethylocta-1,6-dien-3-ylsulfonyl)-4-methylbenzene is sourced from PubChem (CID 10661344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).