methoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid

C15H27O3P — CID 90684381

IUPACmethoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid
SMILESCC/C=C\C/C=C\C/C=C\CCCCP(=O)(O)OC
InChIInChI=1S/C15H27O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18-2/h4-5,7-8,10-11H,3,6,9,12-15H2,1-2H3,(H,16,17)/b5-4-,8-7-,11-10-
InChIKeyBMSOFSFLHFMLLK-YSTUJMKBSA-N
MW286.35 g/mol
LogP4.85
Rot. Bonds11

About methoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid

methoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid (PubChem CID 90684381) has the molecular formula C15H27O3P and a molecular weight of 286.35 g/mol. Its IUPAC name is methoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid.

Molecular Properties

Compound Namemethoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid
PubChem CID90684381
Molecular FormulaC15H27O3P
Molecular Weight286.35 g/mol
Exact Mass286.17
IUPAC Namemethoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid
SMILESCC/C=C\C/C=C\C/C=C\CCCCP(=O)(O)OC
InChIInChI=1S/C15H27O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18-2/h4-5,7-8,10-11H,3,6,9,12-15H2,1-2H3,(H,16,17)/b5-4-,8-7-,11-10-
InChIKeyBMSOFSFLHFMLLK-YSTUJMKBSA-N
XLogP4.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.85
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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Related Compounds

Methoxyarachidonoyl Fluorophosphonate
CID 10429254
Methyl gamma-linolenyl fluorophosphonate
CID 71684459
methyl (S)-(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-ylphosphonofluoridate
CID 92536013
Methoxy arachidonyl fluorophosphonate
CID 5353761
CID 92471077
CID 92471077
(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
1-[Fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene
CID 4125
Methyl 9-octadecenyl phosphite
CID 57357331
Hex-5-enyl(methoxy)phosphinic acid
CID 90684383
(6Z,9Z,12E)-1-[fluoro(methoxy)phosphoryl]octadeca-6,9,12-triene
CID 137348608
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
4-Diethoxyphosphorylcyclohexene
CID 85519806

Frequently Asked Questions

What is the IUPAC name of methoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid?
The IUPAC name of methoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid (CID 90684381) is methoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid.
What is the SMILES notation for methoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid?
The canonical SMILES for methoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid is CC/C=C\C/C=C\C/C=C\CCCCP(=O)(O)OC.
What is the InChIKey of methoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid?
The InChIKey is BMSOFSFLHFMLLK-YSTUJMKBSA-N. The full InChI is InChI=1S/C15H27O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(16,17)18-2/h4-5,7-8,10-11H,3,6,9,12-15H2,1-2H3,(H,16,17)/b5-4-,8-7-,11-10-.
What are the key properties of methoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid?
methoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid has a molecular weight of 286.35 g/mol, XLogP of 4.85, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienyl]phosphinic acid is sourced from PubChem (CID 90684381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).