[(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid

C17H29O3P — CID 90684380

IUPAC[(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid
SMILESC/C=C\C/C=C\C/C=C\C/C=C\CCCCP(=O)(O)OC
InChIInChI=1S/C17H29O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(18,19)20-2/h3-4,6-7,9-10,12-13H,5,8,11,14-17H2,1-2H3,(H,18,19)/b4-3-,7-6-,10-9-,13-12-
InChIKeyNHCDVGBTSZMOAT-LTKCOYKYSA-N
MW312.39 g/mol
LogP5.40
Rot. Bonds12

About [(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid

[(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid (PubChem CID 90684380) has the molecular formula C17H29O3P and a molecular weight of 312.39 g/mol. Its IUPAC name is [(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid.

Molecular Properties

Compound Name[(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid
PubChem CID90684380
Molecular FormulaC17H29O3P
Molecular Weight312.39 g/mol
Exact Mass312.19
IUPAC Name[(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid
SMILESC/C=C\C/C=C\C/C=C\C/C=C\CCCCP(=O)(O)OC
InChIInChI=1S/C17H29O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(18,19)20-2/h3-4,6-7,9-10,12-13H,5,8,11,14-17H2,1-2H3,(H,18,19)/b4-3-,7-6-,10-9-,13-12-
InChIKeyNHCDVGBTSZMOAT-LTKCOYKYSA-N
XLogP5.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.39
LogP ≤ 55.40
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 [(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid?
The IUPAC name of [(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid (CID 90684380) is [(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid.
What is the SMILES notation for [(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid?
The canonical SMILES for [(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid is C/C=C\C/C=C\C/C=C\C/C=C\CCCCP(=O)(O)OC.
What is the InChIKey of [(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid?
The InChIKey is NHCDVGBTSZMOAT-LTKCOYKYSA-N. The full InChI is InChI=1S/C17H29O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(18,19)20-2/h3-4,6-7,9-10,12-13H,5,8,11,14-17H2,1-2H3,(H,18,19)/b4-3-,7-6-,10-9-,13-12-.
What are the key properties of [(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid?
[(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid has a molecular weight of 312.39 g/mol, XLogP of 5.40, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenyl]-methoxyphosphinic acid is sourced from PubChem (CID 90684380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).