(1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol

C23H36OS — CID 141214089

IUPAC(1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol
SMILESCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=C/O)SC
InChIInChI=1S/C23H36OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(22-24)25-2/h12-22,24H,3-11H2,1-2H3/b13-12+,15-14+,17-16+,19-18+,21-20+,23-22-
InChIKeySGLTZGYFYOMPHI-PFZXASDVSA-N
MW360.61 g/mol
LogP8.06
Rot. Bonds15

About (1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol

(1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol (PubChem CID 141214089) has the molecular formula C23H36OS and a molecular weight of 360.61 g/mol. Its IUPAC name is (1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol.

Molecular Properties

Compound Name(1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol
PubChem CID141214089
Molecular FormulaC23H36OS
Molecular Weight360.61 g/mol
Exact Mass360.25
IUPAC Name(1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol
SMILESCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=C/O)SC
InChIInChI=1S/C23H36OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(22-24)25-2/h12-22,24H,3-11H2,1-2H3/b13-12+,15-14+,17-16+,19-18+,21-20+,23-22-
InChIKeySGLTZGYFYOMPHI-PFZXASDVSA-N
XLogP8.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.61
LogP ≤ 58.06
H-Bond Donors ≤ 51
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': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol with MolForge

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Related Compounds

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CID 18319158
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CID 18319160
Octadecatrienol
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Docosapentaenole
CID 22718877
Octadecadienol
CID 71317672
Heptadeca-1,3-dien-1-ol
CID 71340391
n-Eicosadienol
CID 73437175
Octadecatriene-1-ol
CID 73674823
Hydroxyeicosatetraen
CID 73993320
(10z,12z)-Octadecadienol
CID 88602179
Heptadecadienol
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Tetracosa-1,3,5-trien-1-ol
CID 71340356

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol?
The IUPAC name of (1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol (CID 141214089) is (1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol.
What is the SMILES notation for (1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol?
The canonical SMILES for (1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol is CCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=C/O)SC.
What is the InChIKey of (1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol?
The InChIKey is SGLTZGYFYOMPHI-PFZXASDVSA-N. The full InChI is InChI=1S/C23H36OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(22-24)25-2/h12-22,24H,3-11H2,1-2H3/b13-12+,15-14+,17-16+,19-18+,21-20+,23-22-.
What are the key properties of (1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol?
(1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol has a molecular weight of 360.61 g/mol, XLogP of 8.06, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5E,7E,9E,11E)-2-methylsulfanyldocosa-1,3,5,7,9,11-hexaen-1-ol is sourced from PubChem (CID 141214089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).