[(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoxy]-hydroxy-oxophosphanium

C20H36O3P+ — CID 87558656

IUPAC[(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoxy]-hydroxy-oxophosphanium
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCC(CC)CO[P+](=O)O
InChIInChI=1S/C20H35O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(4-2)19-23-24(21)22/h5-6,8-9,11-12,20H,3-4,7,10,13-19H2,1-2H3/p+1/b6-5-,9-8-,12-11-
InChIKeyFWDAOAAKCIBTIO-AGRJPVHOSA-O
MW355.48 g/mol
LogP6.88
Rot. Bonds16

About [(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoxy]-hydroxy-oxophosphanium

[(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoxy]-hydroxy-oxophosphanium (PubChem CID 87558656) has the molecular formula C20H36O3P+ and a molecular weight of 355.48 g/mol. Its IUPAC name is [(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoxy]-hydroxy-oxophosphanium
PubChem CID87558656
Molecular FormulaC20H36O3P+
Molecular Weight355.48 g/mol
Exact Mass355.24
IUPAC Name[(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoxy]-hydroxy-oxophosphanium
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCC(CC)CO[P+](=O)O
InChIInChI=1S/C20H35O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(4-2)19-23-24(21)22/h5-6,8-9,11-12,20H,3-4,7,10,13-19H2,1-2H3/p+1/b6-5-,9-8-,12-11-
InChIKeyFWDAOAAKCIBTIO-AGRJPVHOSA-O
XLogP6.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 56.88
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoxy]-hydroxy-oxophosphanium?
The IUPAC name of [(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoxy]-hydroxy-oxophosphanium (CID 87558656) is [(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoxy]-hydroxy-oxophosphanium is CC/C=C\C/C=C\C/C=C\CCCCCCC(CC)CO[P+](=O)O.
What is the InChIKey of [(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoxy]-hydroxy-oxophosphanium?
The InChIKey is FWDAOAAKCIBTIO-AGRJPVHOSA-O. The full InChI is InChI=1S/C20H35O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(4-2)19-23-24(21)22/h5-6,8-9,11-12,20H,3-4,7,10,13-19H2,1-2H3/p+1/b6-5-,9-8-,12-11-.
What are the key properties of [(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoxy]-hydroxy-oxophosphanium?
[(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoxy]-hydroxy-oxophosphanium has a molecular weight of 355.48 g/mol, XLogP of 6.88, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(9Z,12Z,15Z)-2-ethyloctadeca-9,12,15-trienoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 87558656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).