[(Z)-1-phenylsulfanylundec-1-enyl]benzene

C23H30S — CID 134932780

IUPAC[(Z)-1-phenylsulfanylundec-1-enyl]benzene
SMILESCCCCCCCCC/C=C(\Sc1ccccc1)c1ccccc1
InChIInChI=1S/C23H30S/c1-2-3-4-5-6-7-8-15-20-23(21-16-11-9-12-17-21)24-22-18-13-10-14-19-22/h9-14,16-20H,2-8,15H2,1H3/b23-20-
InChIKeyHPQUOBVQIARMJV-ATJXCDBQSA-N
MW338.56 g/mol
LogP7.96
Rot. Bonds11

About [(Z)-1-phenylsulfanylundec-1-enyl]benzene

[(Z)-1-phenylsulfanylundec-1-enyl]benzene (PubChem CID 134932780) has the molecular formula C23H30S and a molecular weight of 338.56 g/mol. Its IUPAC name is [(Z)-1-phenylsulfanylundec-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-1-phenylsulfanylundec-1-enyl]benzene
PubChem CID134932780
Molecular FormulaC23H30S
Molecular Weight338.56 g/mol
Exact Mass338.21
IUPAC Name[(Z)-1-phenylsulfanylundec-1-enyl]benzene
SMILESCCCCCCCCC/C=C(\Sc1ccccc1)c1ccccc1
InChIInChI=1S/C23H30S/c1-2-3-4-5-6-7-8-15-20-23(21-16-11-9-12-17-21)24-22-18-13-10-14-19-22/h9-14,16-20H,2-8,15H2,1H3/b23-20-
InChIKeyHPQUOBVQIARMJV-ATJXCDBQSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.56
LogP ≤ 57.96
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)-1-phenylhept-1-enyl]sulfanylbenzene
CID 10924031
1-chlorooct-1-enylsulfanylbenzene
CID 73098028
[(Z)-nonadec-9-en-9-yl]sulfanylbenzene
CID 100973714
[(E)-tridec-6-en-6-yl]sulfanylbenzene
CID 102371655
sodium;hydride;1-phenyltetradec-1-enylbenzene
CID 173018182
[(Z)-hept-2-en-2-yl]sulfanylbenzene
CID 101384616
2-phenylundec-2-ene-1-thiol
CID 175069404
[(E)-non-4-en-4-yl]sulfanylbenzene
CID 177448686
2-butyl-1-phenylnon-2-en-1-one
CID 57359358
[(E)-2-chloro-1-phenylethenyl]sulfanylbenzene
CID 91738284
non-1-enylsulfanylbenzene
CID 72760837
2-methylidene-3-phenylpentadec-3-enoic acid
CID 173433736

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-phenylsulfanylundec-1-enyl]benzene?
The IUPAC name of [(Z)-1-phenylsulfanylundec-1-enyl]benzene (CID 134932780) is [(Z)-1-phenylsulfanylundec-1-enyl]benzene.
What is the SMILES notation for [(Z)-1-phenylsulfanylundec-1-enyl]benzene?
The canonical SMILES for [(Z)-1-phenylsulfanylundec-1-enyl]benzene is CCCCCCCCC/C=C(\Sc1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-phenylsulfanylundec-1-enyl]benzene?
The InChIKey is HPQUOBVQIARMJV-ATJXCDBQSA-N. The full InChI is InChI=1S/C23H30S/c1-2-3-4-5-6-7-8-15-20-23(21-16-11-9-12-17-21)24-22-18-13-10-14-19-22/h9-14,16-20H,2-8,15H2,1H3/b23-20-.
What are the key properties of [(Z)-1-phenylsulfanylundec-1-enyl]benzene?
[(Z)-1-phenylsulfanylundec-1-enyl]benzene has a molecular weight of 338.56 g/mol, XLogP of 7.96, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-phenylsulfanylundec-1-enyl]benzene is sourced from PubChem (CID 134932780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).