[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methoxy-oxophosphanium

C21H36O3P+ — CID 87075042

IUPAC[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methoxy-oxophosphanium
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO[P+](=O)OC
InChIInChI=1S/C21H36O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-25(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/q+1/b8-7-,11-10-,14-13-,17-16-
InChIKeyIZWLIVOAEKZDTJ-ZKWNWVNESA-N
MW367.49 g/mol
LogP7.45
Rot. Bonds17

About [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methoxy-oxophosphanium

[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methoxy-oxophosphanium (PubChem CID 87075042) has the molecular formula C21H36O3P+ and a molecular weight of 367.49 g/mol. Its IUPAC name is [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methoxy-oxophosphanium.

Molecular Properties

Compound Name[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methoxy-oxophosphanium
PubChem CID87075042
Molecular FormulaC21H36O3P+
Molecular Weight367.49 g/mol
Exact Mass367.24
IUPAC Name[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methoxy-oxophosphanium
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO[P+](=O)OC
InChIInChI=1S/C21H36O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-25(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/q+1/b8-7-,11-10-,14-13-,17-16-
InChIKeyIZWLIVOAEKZDTJ-ZKWNWVNESA-N
XLogP7.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 57.45
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]-methoxy-oxophosphanium?
The IUPAC name of [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methoxy-oxophosphanium (CID 87075042) is [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methoxy-oxophosphanium.
What is the SMILES notation for [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methoxy-oxophosphanium?
The canonical SMILES for [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methoxy-oxophosphanium is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO[P+](=O)OC.
What is the InChIKey of [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methoxy-oxophosphanium?
The InChIKey is IZWLIVOAEKZDTJ-ZKWNWVNESA-N. The full InChI is InChI=1S/C21H36O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-25(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/q+1/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of [(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methoxy-oxophosphanium?
[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoxy]-methoxy-oxophosphanium has a molecular weight of 367.49 g/mol, XLogP of 7.45, 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]-methoxy-oxophosphanium is sourced from PubChem (CID 87075042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).