methoxy-[(5Z,8Z,11Z)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid

C16H27O3P — CID 90684382

IUPACmethoxy-[(5Z,8Z,11Z)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid
SMILESC=CC/C=C\C/C=C\C/C=C\CCCCP(=O)(O)OC
InChIInChI=1S/C16H27O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19-2/h3,5-6,8-9,11-12H,1,4,7,10,13-16H2,2H3,(H,17,18)/b6-5-,9-8-,12-11-
InChIKeyCVQNNJLTTZCBSA-AGRJPVHOSA-N
MW298.36 g/mol
LogP5.01
Rot. Bonds12

About methoxy-[(5Z,8Z,11Z)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid

methoxy-[(5Z,8Z,11Z)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid (PubChem CID 90684382) has the molecular formula C16H27O3P and a molecular weight of 298.36 g/mol. Its IUPAC name is methoxy-[(5Z,8Z,11Z)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid.

Molecular Properties

Compound Namemethoxy-[(5Z,8Z,11Z)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid
PubChem CID90684382
Molecular FormulaC16H27O3P
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Namemethoxy-[(5Z,8Z,11Z)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid
SMILESC=CC/C=C\C/C=C\C/C=C\CCCCP(=O)(O)OC
InChIInChI=1S/C16H27O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19-2/h3,5-6,8-9,11-12H,1,4,7,10,13-16H2,2H3,(H,17,18)/b6-5-,9-8-,12-11-
InChIKeyCVQNNJLTTZCBSA-AGRJPVHOSA-N
XLogP5.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.36
LogP ≤ 55.01
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
[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]phosphonic acid
CID 19854166
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
1-[Fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene
CID 4125
methoxy-[(6Z,9Z)-octadeca-6,9-dienyl]phosphinous acid
CID 72200622
Methyl 9-octadecenyl phosphite
CID 57357331
(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)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid?
The IUPAC name of methoxy-[(5Z,8Z,11Z)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid (CID 90684382) is methoxy-[(5Z,8Z,11Z)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid.
What is the SMILES notation for methoxy-[(5Z,8Z,11Z)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid?
The canonical SMILES for methoxy-[(5Z,8Z,11Z)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid is C=CC/C=C\C/C=C\C/C=C\CCCCP(=O)(O)OC.
What is the InChIKey of methoxy-[(5Z,8Z,11Z)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid?
The InChIKey is CVQNNJLTTZCBSA-AGRJPVHOSA-N. The full InChI is InChI=1S/C16H27O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19-2/h3,5-6,8-9,11-12H,1,4,7,10,13-16H2,2H3,(H,17,18)/b6-5-,9-8-,12-11-.
What are the key properties of methoxy-[(5Z,8Z,11Z)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid?
methoxy-[(5Z,8Z,11Z)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid has a molecular weight of 298.36 g/mol, XLogP of 5.01, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[(5Z,8Z,11Z)-pentadeca-5,8,11,14-tetraenyl]phosphinic acid is sourced from PubChem (CID 90684382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).