(7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol

C25H42OS — CID 59492205

IUPAC(7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(CO)SCCC
InChIInChI=1S/C25H42OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(24-26)27-23-4-2/h5-6,8-9,11-12,14-15,17-18,25-26H,3-4,7,10,13,16,19-24H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKeyWODHENYIMNZFKN-AAQCHOMXSA-N
MW390.68 g/mol
LogP7.80
Rot. Bonds18

About (7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol

(7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol (PubChem CID 59492205) has the molecular formula C25H42OS and a molecular weight of 390.68 g/mol. Its IUPAC name is (7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol.

Molecular Properties

Compound Name(7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol
PubChem CID59492205
Molecular FormulaC25H42OS
Molecular Weight390.68 g/mol
Exact Mass390.30
IUPAC Name(7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(CO)SCCC
InChIInChI=1S/C25H42OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(24-26)27-23-4-2/h5-6,8-9,11-12,14-15,17-18,25-26H,3-4,7,10,13,16,19-24H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKeyWODHENYIMNZFKN-AAQCHOMXSA-N
XLogP7.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.68
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol?
The IUPAC name of (7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol (CID 59492205) is (7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol.
What is the SMILES notation for (7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol?
The canonical SMILES for (7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(CO)SCCC.
What is the InChIKey of (7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol?
The InChIKey is WODHENYIMNZFKN-AAQCHOMXSA-N. The full InChI is InChI=1S/C25H42OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(24-26)27-23-4-2/h5-6,8-9,11-12,14-15,17-18,25-26H,3-4,7,10,13,16,19-24H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-.
What are the key properties of (7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol?
(7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol has a molecular weight of 390.68 g/mol, XLogP of 7.80, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,10Z,13Z,16Z,19Z)-2-propylsulfanyldocosa-7,10,13,16,19-pentaen-1-ol is sourced from PubChem (CID 59492205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).