(3Z)-4-ethenyl-17-(2-ethoxyethylsulfanyl)-2-fluoroheptadeca-1,3-diene

C23H41FOS — CID 162744523

IUPAC(3Z)-4-ethenyl-17-(2-ethoxyethylsulfanyl)-2-fluoroheptadeca-1,3-diene
SMILESC=C/C(=C\C(=C)F)CCCCCCCCCCCCCSCCOCC
InChIInChI=1S/C23H41FOS/c1-4-23(21-22(3)24)17-15-13-11-9-7-6-8-10-12-14-16-19-26-20-18-25-5-2/h4,21H,1,3,5-20H2,2H3/b23-21+
InChIKeyNUKURYBKPFZTPJ-XTQSDGFTSA-N
MW384.65 g/mol
LogP8.03
Rot. Bonds20

About (3Z)-4-ethenyl-17-(2-ethoxyethylsulfanyl)-2-fluoroheptadeca-1,3-diene

(3Z)-4-ethenyl-17-(2-ethoxyethylsulfanyl)-2-fluoroheptadeca-1,3-diene (PubChem CID 162744523) has the molecular formula C23H41FOS and a molecular weight of 384.65 g/mol. Its IUPAC name is (3Z)-4-ethenyl-17-(2-ethoxyethylsulfanyl)-2-fluoroheptadeca-1,3-diene.

Molecular Properties

Compound Name(3Z)-4-ethenyl-17-(2-ethoxyethylsulfanyl)-2-fluoroheptadeca-1,3-diene
PubChem CID162744523
Molecular FormulaC23H41FOS
Molecular Weight384.65 g/mol
Exact Mass384.29
IUPAC Name(3Z)-4-ethenyl-17-(2-ethoxyethylsulfanyl)-2-fluoroheptadeca-1,3-diene
SMILESC=C/C(=C\C(=C)F)CCCCCCCCCCCCCSCCOCC
InChIInChI=1S/C23H41FOS/c1-4-23(21-22(3)24)17-15-13-11-9-7-6-8-10-12-14-16-19-26-20-18-25-5-2/h4,21H,1,3,5-20H2,2H3/b23-21+
InChIKeyNUKURYBKPFZTPJ-XTQSDGFTSA-N
XLogP8.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 58.03
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethenyl-17-(2-ethoxyethylsulfanyl)-2-fluoroheptadeca-1,3-diene?
The IUPAC name of (3Z)-4-ethenyl-17-(2-ethoxyethylsulfanyl)-2-fluoroheptadeca-1,3-diene (CID 162744523) is (3Z)-4-ethenyl-17-(2-ethoxyethylsulfanyl)-2-fluoroheptadeca-1,3-diene.
What is the SMILES notation for (3Z)-4-ethenyl-17-(2-ethoxyethylsulfanyl)-2-fluoroheptadeca-1,3-diene?
The canonical SMILES for (3Z)-4-ethenyl-17-(2-ethoxyethylsulfanyl)-2-fluoroheptadeca-1,3-diene is C=C/C(=C\C(=C)F)CCCCCCCCCCCCCSCCOCC.
What is the InChIKey of (3Z)-4-ethenyl-17-(2-ethoxyethylsulfanyl)-2-fluoroheptadeca-1,3-diene?
The InChIKey is NUKURYBKPFZTPJ-XTQSDGFTSA-N. The full InChI is InChI=1S/C23H41FOS/c1-4-23(21-22(3)24)17-15-13-11-9-7-6-8-10-12-14-16-19-26-20-18-25-5-2/h4,21H,1,3,5-20H2,2H3/b23-21+.
What are the key properties of (3Z)-4-ethenyl-17-(2-ethoxyethylsulfanyl)-2-fluoroheptadeca-1,3-diene?
(3Z)-4-ethenyl-17-(2-ethoxyethylsulfanyl)-2-fluoroheptadeca-1,3-diene has a molecular weight of 384.65 g/mol, XLogP of 8.03, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethenyl-17-(2-ethoxyethylsulfanyl)-2-fluoroheptadeca-1,3-diene is sourced from PubChem (CID 162744523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).