1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene

C17H26O2S — CID 12578443

IUPAC1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene
SMILESCCCCCCCC/C=C/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H26O2S/c1-3-4-5-6-7-8-9-10-15-20(18,19)17-13-11-16(2)12-14-17/h10-15H,3-9H2,1-2H3/b15-10+
InChIKeyZZGURUMBABZWJN-XNTDXEJSSA-N
MW294.46 g/mol
LogP5.03
Rot. Bonds9

About 1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene

1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene (PubChem CID 12578443) has the molecular formula C17H26O2S and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene
PubChem CID12578443
Molecular FormulaC17H26O2S
Molecular Weight294.46 g/mol
Exact Mass294.17
IUPAC Name1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene
SMILESCCCCCCCC/C=C/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H26O2S/c1-3-4-5-6-7-8-9-10-15-20(18,19)17-13-11-16(2)12-14-17/h10-15H,3-9H2,1-2H3/b15-10+
InChIKeyZZGURUMBABZWJN-XNTDXEJSSA-N
XLogP5.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.46
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(E)-dec-1-enyl]sulfonyl-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

Related Compounds

1-[(E)-hex-1-enyl]sulfonyl-4-methylbenzene
CID 12556455
1-methyl-4-[(Z)-2-octylsulfanylethenyl]sulfonylbenzene
CID 11393248
non-3-enyl 4-methylbenzenesulfonate
CID 73182731
(E)-2,2-dimethyl-8-(4-methylphenyl)sulfonyloct-7-en-3-ol
CID 15358133
1-(4-methylphenyl)sulfonyloxydec-1-enyl 4-methylbenzenesulfonate
CID 135012880
N-but-3-enyl-N'-[4-(4-methylphenyl)sulfonylbut-3-enyl]butane-1,4-diamine
CID 67936482
1-methyl-4-[(1E,3E)-4-(4-methylphenyl)sulfonylbuta-1,3-dienyl]sulfonylbenzene
CID 10570649
2-[2-hydroxyethyl-[(Z)-nonadec-10-enyl]amino]ethanol;4-methylbenzenesulfonic acid
CID 88515557
1-heptylsulfanylsulfonyl-4-methylbenzene
CID 11335169
1-ethenylsulfonyl-4-[(Z)-octadec-9-enyl]benzene
CID 70565875
formaldehyde;hexane;1,4-xylene
CID 143308406
sodium (Z)-octadec-1-ene-1-sulfonate
CID 23695355

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene?
The IUPAC name of 1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene (CID 12578443) is 1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene.
What is the SMILES notation for 1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene?
The canonical SMILES for 1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene is CCCCCCCC/C=C/S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene?
The InChIKey is ZZGURUMBABZWJN-XNTDXEJSSA-N. The full InChI is InChI=1S/C17H26O2S/c1-3-4-5-6-7-8-9-10-15-20(18,19)17-13-11-16(2)12-14-17/h10-15H,3-9H2,1-2H3/b15-10+.
What are the key properties of 1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene?
1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene has a molecular weight of 294.46 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-dec-1-enyl]sulfonyl-4-methylbenzene is sourced from PubChem (CID 12578443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).