(4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol

C24H38OS — CID 59492252

IUPAC(4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/CC(CO)SCC
InChIInChI=1S/C24H38OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(23-25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21,24-25H,3-4,7,10,13,16,19,22-23H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20+
InChIKeyLOXDFYXJZWLSPY-KUSSBYQRSA-N
MW374.63 g/mol
LogP7.19
Rot. Bonds16

About (4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol

(4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol (PubChem CID 59492252) has the molecular formula C24H38OS and a molecular weight of 374.63 g/mol. Its IUPAC name is (4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol.

Molecular Properties

Compound Name(4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
PubChem CID59492252
Molecular FormulaC24H38OS
Molecular Weight374.63 g/mol
Exact Mass374.26
IUPAC Name(4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/CC(CO)SCC
InChIInChI=1S/C24H38OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(23-25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21,24-25H,3-4,7,10,13,16,19,22-23H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20+
InChIKeyLOXDFYXJZWLSPY-KUSSBYQRSA-N
XLogP7.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.63
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol?
The IUPAC name of (4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol (CID 59492252) is (4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol.
What is the SMILES notation for (4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol?
The canonical SMILES for (4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C/CC(CO)SCC.
What is the InChIKey of (4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol?
The InChIKey is LOXDFYXJZWLSPY-KUSSBYQRSA-N. The full InChI is InChI=1S/C24H38OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(23-25)26-4-2/h5-6,8-9,11-12,14-15,17-18,20-21,24-25H,3-4,7,10,13,16,19,22-23H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20+.
What are the key properties of (4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol?
(4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol has a molecular weight of 374.63 g/mol, XLogP of 7.19, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7Z,10Z,13Z,16Z,19Z)-2-ethylsulfanyldocosa-4,7,10,13,16,19-hexaen-1-ol is sourced from PubChem (CID 59492252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).