non-1-enylsulfinylbenzene

C15H22OS — CID 71319651

IUPACnon-1-enylsulfinylbenzene
SMILESCCCCCCCC=CS(=O)c1ccccc1
InChIInChI=1S/C15H22OS/c1-2-3-4-5-6-7-11-14-17(16)15-12-9-8-10-13-15/h8-14H,2-7H2,1H3
InChIKeyCYNYKOUCTAHPRR-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.67
Rot. Bonds8

About non-1-enylsulfinylbenzene

non-1-enylsulfinylbenzene (PubChem CID 71319651) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is non-1-enylsulfinylbenzene.

Molecular Properties

Compound Namenon-1-enylsulfinylbenzene
PubChem CID71319651
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Namenon-1-enylsulfinylbenzene
SMILESCCCCCCCC=CS(=O)c1ccccc1
InChIInChI=1S/C15H22OS/c1-2-3-4-5-6-7-11-14-17(16)15-12-9-8-10-13-15/h8-14H,2-7H2,1H3
InChIKeyCYNYKOUCTAHPRR-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-hex-1-enyl]sulfinylbenzene
CID 11275798
1-methylsulfinyloctadec-1-ene
CID 54362991
2-[(E)-pentadec-1-enyl]sulfinylnaphthalene-1,4-diol
CID 91900106
octadecylsulfinylbenzene
CID 10937741
[(E)-octadec-1-enyl]benzene
CID 22722345
hepta-1,2-dienylsulfinylbenzene
CID 11470056
dodec-4-enylbenzene
CID 54018856
nonadec-10-enylbenzene
CID 54264053
[(Z)-heptadec-10-enyl]benzene
CID 175397737
heptadec-4-enylbenzene
CID 173163087
1-methyl-4-[(R)-[(1E,3Z)-octa-1,3-dienyl]sulfinyl]benzene
CID 11118430
benzoic acid;tris(octadec-9-enoic acid)
CID 161443012

Frequently Asked Questions

What is the IUPAC name of non-1-enylsulfinylbenzene?
The IUPAC name of non-1-enylsulfinylbenzene (CID 71319651) is non-1-enylsulfinylbenzene.
What is the SMILES notation for non-1-enylsulfinylbenzene?
The canonical SMILES for non-1-enylsulfinylbenzene is CCCCCCCC=CS(=O)c1ccccc1.
What is the InChIKey of non-1-enylsulfinylbenzene?
The InChIKey is CYNYKOUCTAHPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-2-3-4-5-6-7-11-14-17(16)15-12-9-8-10-13-15/h8-14H,2-7H2,1H3.
What are the key properties of non-1-enylsulfinylbenzene?
non-1-enylsulfinylbenzene has a molecular weight of 250.41 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for non-1-enylsulfinylbenzene is sourced from PubChem (CID 71319651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).