4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol

C15H28OS — CID 25223319

IUPAC4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol
SMILESCCC/C=C\C=C\CCCCSCCCCO
InChIInChI=1S/C15H28OS/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16/h4-7,16H,2-3,8-15H2,1H3/b5-4-,7-6+
InChIKeyJKNCLYTZKQEIBE-SCFJQAPRSA-N
MW256.45 g/mol
LogP4.57
Rot. Bonds12

About 4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol

4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol (PubChem CID 25223319) has the molecular formula C15H28OS and a molecular weight of 256.45 g/mol. Its IUPAC name is 4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol.

Molecular Properties

Compound Name4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol
PubChem CID25223319
Molecular FormulaC15H28OS
Molecular Weight256.45 g/mol
Exact Mass256.19
IUPAC Name4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol
SMILESCCC/C=C\C=C\CCCCSCCCCO
InChIInChI=1S/C15H28OS/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16/h4-7,16H,2-3,8-15H2,1H3/b5-4-,7-6+
InChIKeyJKNCLYTZKQEIBE-SCFJQAPRSA-N
XLogP4.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-Octadien-1-ylthio)ethanol
CID 3023713
2-(2,6-Octadienylthio)ethanol
CID 6366458
6-(3-Fluorocyclohexa-1,5-dien-1-yl)sulfanylhexan-1-ol
CID 138723692
2-[(2E,6E,10E)-dodeca-2,6,10-trienyl]sulfanylethanol
CID 13643474
(4Z,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 25122254
(5Z,8Z,11Z,14Z,17Z)-2-propylsulfanylicosa-5,8,11,14,17-pentaen-1-ol
CID 25122257
(4E,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-4,8,11,14,17-pentaen-1-ol
CID 25122614
(5Z,8Z,11Z,14Z,17Z)-2-ethylsulfanylicosa-5,8,11,14,17-pentaen-1-ol
CID 25122635
2-Dodeca-2,6,10-trienylsulfanylethanol
CID 54464560
(4E,7Z,10Z,13Z,16Z,19Z)-2-methylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 59492217
(4E,7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
CID 59492221
(4E,8Z,11Z,14Z,17Z)-2-propylsulfanylicosa-4,8,11,14,17-pentaen-1-ol
CID 59492229

Frequently Asked Questions

What is the IUPAC name of 4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol?
The IUPAC name of 4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol (CID 25223319) is 4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol.
What is the SMILES notation for 4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol?
The canonical SMILES for 4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol is CCC/C=C\C=C\CCCCSCCCCO.
What is the InChIKey of 4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol?
The InChIKey is JKNCLYTZKQEIBE-SCFJQAPRSA-N. The full InChI is InChI=1S/C15H28OS/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16/h4-7,16H,2-3,8-15H2,1H3/b5-4-,7-6+.
What are the key properties of 4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol?
4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol has a molecular weight of 256.45 g/mol, XLogP of 4.57, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol is sourced from PubChem (CID 25223319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).