(6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol

C24H38OS — CID 142701093

IUPAC(6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol
SMILESCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(O)CCS
InChIInChI=1S/C24H38OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(25)22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,24-26H,2,5,8,11,14,17,20-23H2,1H3/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+
InChIKeyIORCXELYMBNEKD-SFGLVEFQSA-N
MW374.63 g/mol
LogP7.15
Rot. Bonds16

About (6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol

(6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol (PubChem CID 142701093) has the molecular formula C24H38OS and a molecular weight of 374.63 g/mol. Its IUPAC name is (6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol.

Molecular Properties

Compound Name(6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol
PubChem CID142701093
Molecular FormulaC24H38OS
Molecular Weight374.63 g/mol
Exact Mass374.26
IUPAC Name(6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol
SMILESCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(O)CCS
InChIInChI=1S/C24H38OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(25)22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,24-26H,2,5,8,11,14,17,20-23H2,1H3/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+
InChIKeyIORCXELYMBNEKD-SFGLVEFQSA-N
XLogP7.15
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.63
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z,6Z,9Z,26Z,29Z,32Z)-pentatriaconta-3,6,9,26,29,32-hexaen-18-ol
CID 121330977
(6Z,9Z,12Z,15Z,18Z,21Z)-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)tetracosa-6,9,12,15,18,21-hexaen-3-ol
CID 168849733
(5Z,8Z,11Z,14Z,17Z)-2-methylicosa-5,8,11,14,17-pentaenoic acid
CID 10041487
methyl 9-hydroxyoctadeca-12,15-dienoate
CID 86104708
(5Z)-2-ethylicosa-5,8,11,14,17-pentaenoic acid
CID 175828480
3-hydroxynon-6-enoic acid
CID 57374123
2-(chloromethyl)icosa-5,8,11,14,17-pentaenoic acid
CID 54255147
pentadeca-3,6,9,12-tetraene
CID 123748490
(4Z,7Z,10Z)-1-[[(4Z,7Z,10Z)-2-hydroxytrideca-4,7,10-trienyl]-(2-sulfanylethyl)amino]trideca-4,7,10-trien-2-ol
CID 177089833
[(5E,8E,11E,14E,17E)-2-ethyl-1-hydroxyicosa-5,8,11,14,17-pentaenyl]phosphonic acid
CID 142701086
2-methanethioylicosa-5,8,11,14,17-pentaenoic acid
CID 123778500
2-ethylundeca-5,8-dienal
CID 140806984

Frequently Asked Questions

What is the IUPAC name of (6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol?
The IUPAC name of (6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol (CID 142701093) is (6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol.
What is the SMILES notation for (6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol?
The canonical SMILES for (6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol is CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(O)CCS.
What is the InChIKey of (6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol?
The InChIKey is IORCXELYMBNEKD-SFGLVEFQSA-N. The full InChI is InChI=1S/C24H38OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(25)22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,24-26H,2,5,8,11,14,17,20-23H2,1H3/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+.
What are the key properties of (6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol?
(6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol has a molecular weight of 374.63 g/mol, XLogP of 7.15, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,9E,12E,15E,18E,21E)-1-sulfanyltetracosa-6,9,12,15,18,21-hexaen-3-ol is sourced from PubChem (CID 142701093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).