[(4Z,6Z)-5-cyclohexyloxyundeca-1,4,6-trien-6-yl]sulfanylbenzene

C23H32OS — CID 15530591

IUPAC[(4Z,6Z)-5-cyclohexyloxyundeca-1,4,6-trien-6-yl]sulfanylbenzene
SMILESC=CC/C=C(OC1CCCCC1)/C(=C/CCCC)Sc1ccccc1
InChIInChI=1S/C23H32OS/c1-3-5-9-19-23(25-21-16-12-8-13-17-21)22(18-6-4-2)24-20-14-10-7-11-15-20/h4,8,12-13,16-20H,2-3,5-7,9-11,14-15H2,1H3/b22-18-,23-19-
InChIKeyIXNCANPIRLEAPJ-RSFSRFMPSA-N
MW356.58 g/mol
LogP7.66
Rot. Bonds10

About [(4Z,6Z)-5-cyclohexyloxyundeca-1,4,6-trien-6-yl]sulfanylbenzene

[(4Z,6Z)-5-cyclohexyloxyundeca-1,4,6-trien-6-yl]sulfanylbenzene (PubChem CID 15530591) has the molecular formula C23H32OS and a molecular weight of 356.58 g/mol. Its IUPAC name is [(4Z,6Z)-5-cyclohexyloxyundeca-1,4,6-trien-6-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(4Z,6Z)-5-cyclohexyloxyundeca-1,4,6-trien-6-yl]sulfanylbenzene
PubChem CID15530591
Molecular FormulaC23H32OS
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Name[(4Z,6Z)-5-cyclohexyloxyundeca-1,4,6-trien-6-yl]sulfanylbenzene
SMILESC=CC/C=C(OC1CCCCC1)/C(=C/CCCC)Sc1ccccc1
InChIInChI=1S/C23H32OS/c1-3-5-9-19-23(25-21-16-12-8-13-17-21)22(18-6-4-2)24-20-14-10-7-11-15-20/h4,8,12-13,16-20H,2-3,5-7,9-11,14-15H2,1H3/b22-18-,23-19-
InChIKeyIXNCANPIRLEAPJ-RSFSRFMPSA-N
XLogP7.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.58
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4Z,6Z)-5-cyclohexyloxyundeca-1,4,6-trien-6-yl]sulfanylbenzene?
The IUPAC name of [(4Z,6Z)-5-cyclohexyloxyundeca-1,4,6-trien-6-yl]sulfanylbenzene (CID 15530591) is [(4Z,6Z)-5-cyclohexyloxyundeca-1,4,6-trien-6-yl]sulfanylbenzene.
What is the SMILES notation for [(4Z,6Z)-5-cyclohexyloxyundeca-1,4,6-trien-6-yl]sulfanylbenzene?
The canonical SMILES for [(4Z,6Z)-5-cyclohexyloxyundeca-1,4,6-trien-6-yl]sulfanylbenzene is C=CC/C=C(OC1CCCCC1)/C(=C/CCCC)Sc1ccccc1.
What is the InChIKey of [(4Z,6Z)-5-cyclohexyloxyundeca-1,4,6-trien-6-yl]sulfanylbenzene?
The InChIKey is IXNCANPIRLEAPJ-RSFSRFMPSA-N. The full InChI is InChI=1S/C23H32OS/c1-3-5-9-19-23(25-21-16-12-8-13-17-21)22(18-6-4-2)24-20-14-10-7-11-15-20/h4,8,12-13,16-20H,2-3,5-7,9-11,14-15H2,1H3/b22-18-,23-19-.
What are the key properties of [(4Z,6Z)-5-cyclohexyloxyundeca-1,4,6-trien-6-yl]sulfanylbenzene?
[(4Z,6Z)-5-cyclohexyloxyundeca-1,4,6-trien-6-yl]sulfanylbenzene has a molecular weight of 356.58 g/mol, XLogP of 7.66, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z,6Z)-5-cyclohexyloxyundeca-1,4,6-trien-6-yl]sulfanylbenzene is sourced from PubChem (CID 15530591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).