(6Z,9Z)-18-diethoxyphosphoryloctadeca-6,9-diene

C22H43O3P — CID 150186425

IUPAC(6Z,9Z)-18-diethoxyphosphoryloctadeca-6,9-diene
SMILESCCCCC/C=C\C/C=C\CCCCCCCCP(=O)(OCC)OCC
InChIInChI=1S/C22H43O3P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(23,24-5-2)25-6-3/h10-11,13-14H,4-9,12,15-22H2,1-3H3/b11-10-,14-13-
InChIKeyFMNIDGJPHCPSOZ-XVTLYKPTSA-N
MW386.56 g/mol
LogP8.07
Rot. Bonds19

About (6Z,9Z)-18-diethoxyphosphoryloctadeca-6,9-diene

(6Z,9Z)-18-diethoxyphosphoryloctadeca-6,9-diene (PubChem CID 150186425) has the molecular formula C22H43O3P and a molecular weight of 386.56 g/mol. Its IUPAC name is (6Z,9Z)-18-diethoxyphosphoryloctadeca-6,9-diene.

Molecular Properties

Compound Name(6Z,9Z)-18-diethoxyphosphoryloctadeca-6,9-diene
PubChem CID150186425
Molecular FormulaC22H43O3P
Molecular Weight386.56 g/mol
Exact Mass386.29
IUPAC Name(6Z,9Z)-18-diethoxyphosphoryloctadeca-6,9-diene
SMILESCCCCC/C=C\C/C=C\CCCCCCCCP(=O)(OCC)OCC
InChIInChI=1S/C22H43O3P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(23,24-5-2)25-6-3/h10-11,13-14H,4-9,12,15-22H2,1-3H3/b11-10-,14-13-
InChIKeyFMNIDGJPHCPSOZ-XVTLYKPTSA-N
XLogP8.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.56
LogP ≤ 58.07
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 (6Z,9Z)-18-diethoxyphosphoryloctadeca-6,9-diene?
The IUPAC name of (6Z,9Z)-18-diethoxyphosphoryloctadeca-6,9-diene (CID 150186425) is (6Z,9Z)-18-diethoxyphosphoryloctadeca-6,9-diene.
What is the SMILES notation for (6Z,9Z)-18-diethoxyphosphoryloctadeca-6,9-diene?
The canonical SMILES for (6Z,9Z)-18-diethoxyphosphoryloctadeca-6,9-diene is CCCCC/C=C\C/C=C\CCCCCCCCP(=O)(OCC)OCC.
What is the InChIKey of (6Z,9Z)-18-diethoxyphosphoryloctadeca-6,9-diene?
The InChIKey is FMNIDGJPHCPSOZ-XVTLYKPTSA-N. The full InChI is InChI=1S/C22H43O3P/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(23,24-5-2)25-6-3/h10-11,13-14H,4-9,12,15-22H2,1-3H3/b11-10-,14-13-.
What are the key properties of (6Z,9Z)-18-diethoxyphosphoryloctadeca-6,9-diene?
(6Z,9Z)-18-diethoxyphosphoryloctadeca-6,9-diene has a molecular weight of 386.56 g/mol, XLogP of 8.07, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,9Z)-18-diethoxyphosphoryloctadeca-6,9-diene is sourced from PubChem (CID 150186425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).