[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methylphosphoryl] hypofluorite

C21H36FO3P — CID 87429198

IUPAC[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methylphosphoryl] hypofluorite
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOP(C)(=O)OF
InChIInChI=1S/C21H36FO3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-26(2,23)25-22/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChIKeyFTYQAMPNLUIJCE-ZKWNWVNESA-N
MW386.49 g/mol
LogP7.87
Rot. Bonds17

About [[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methylphosphoryl] hypofluorite

[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methylphosphoryl] hypofluorite (PubChem CID 87429198) has the molecular formula C21H36FO3P and a molecular weight of 386.49 g/mol. Its IUPAC name is [[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methylphosphoryl] hypofluorite.

Molecular Properties

Compound Name[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methylphosphoryl] hypofluorite
PubChem CID87429198
Molecular FormulaC21H36FO3P
Molecular Weight386.49 g/mol
Exact Mass386.24
IUPAC Name[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methylphosphoryl] hypofluorite
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOP(C)(=O)OF
InChIInChI=1S/C21H36FO3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-26(2,23)25-22/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChIKeyFTYQAMPNLUIJCE-ZKWNWVNESA-N
XLogP7.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methylphosphoryl] hypofluorite?
The IUPAC name of [[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methylphosphoryl] hypofluorite (CID 87429198) is [[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methylphosphoryl] hypofluorite.
What is the SMILES notation for [[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methylphosphoryl] hypofluorite?
The canonical SMILES for [[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methylphosphoryl] hypofluorite is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOP(C)(=O)OF.
What is the InChIKey of [[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methylphosphoryl] hypofluorite?
The InChIKey is FTYQAMPNLUIJCE-ZKWNWVNESA-N. The full InChI is InChI=1S/C21H36FO3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-26(2,23)25-22/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of [[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methylphosphoryl] hypofluorite?
[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methylphosphoryl] hypofluorite has a molecular weight of 386.49 g/mol, XLogP of 7.87, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methylphosphoryl] hypofluorite is sourced from PubChem (CID 87429198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).