[(Z)-octadec-9-enoxy]-phenylphosphinic acid

C24H41O3P — CID 175578268

IUPAC[(Z)-octadec-9-enoxy]-phenylphosphinic acid
SMILESCCCCCCCC/C=C\CCCCCCCCOP(=O)(O)c1ccccc1
InChIInChI=1S/C24H41O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-28(25,26)24-21-18-17-19-22-24/h9-10,17-19,21-22H,2-8,11-16,20,23H2,1H3,(H,25,26)/b10-9-
InChIKeyUTNBUESLVHUPQM-KTKRTIGZSA-N
MW408.56 g/mol
LogP7.55
Rot. Bonds18

About [(Z)-octadec-9-enoxy]-phenylphosphinic acid

[(Z)-octadec-9-enoxy]-phenylphosphinic acid (PubChem CID 175578268) has the molecular formula C24H41O3P and a molecular weight of 408.56 g/mol. Its IUPAC name is [(Z)-octadec-9-enoxy]-phenylphosphinic acid.

Molecular Properties

Compound Name[(Z)-octadec-9-enoxy]-phenylphosphinic acid
PubChem CID175578268
Molecular FormulaC24H41O3P
Molecular Weight408.56 g/mol
Exact Mass408.28
IUPAC Name[(Z)-octadec-9-enoxy]-phenylphosphinic acid
SMILESCCCCCCCC/C=C\CCCCCCCCOP(=O)(O)c1ccccc1
InChIInChI=1S/C24H41O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-28(25,26)24-21-18-17-19-22-24/h9-10,17-19,21-22H,2-8,11-16,20,23H2,1H3,(H,25,26)/b10-9-
InChIKeyUTNBUESLVHUPQM-KTKRTIGZSA-N
XLogP7.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.56
LogP ≤ 57.55
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

neodymium(3+);tris([(Z)-octadec-9-enoxy]-phenylphosphinate)
CID 175578267
[(Z)-hexadec-9-enyl] dihydrogen phosphate
CID 122597985
di(tridecoxy)phosphorylbenzene
CID 87531060
[decoxy(phenyl)phosphoryl]benzene
CID 135066173
[(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid
CID 139947168
2-hexyldodecoxy(phenyl)phosphinic acid
CID 10223298
methyl octadec-9-enyl hydrogen phosphate
CID 90872406
iron;[(Z)-octadec-9-enoxy]-[(Z)-octadec-9-enyl]phosphinic acid
CID 87602188
[(Z)-octadec-9-enoxy]-propylphosphinic acid
CID 139947162
oct-1-enylbenzene;phosphoric acid
CID 159316508
benzyl(octoxy)phosphinic acid
CID 57273466
(Z)-octadec-9-enoic acid;[(Z)-octadec-9-enyl] dihydrogen phosphate
CID 157438661

Frequently Asked Questions

What is the IUPAC name of [(Z)-octadec-9-enoxy]-phenylphosphinic acid?
The IUPAC name of [(Z)-octadec-9-enoxy]-phenylphosphinic acid (CID 175578268) is [(Z)-octadec-9-enoxy]-phenylphosphinic acid.
What is the SMILES notation for [(Z)-octadec-9-enoxy]-phenylphosphinic acid?
The canonical SMILES for [(Z)-octadec-9-enoxy]-phenylphosphinic acid is CCCCCCCC/C=C\CCCCCCCCOP(=O)(O)c1ccccc1.
What is the InChIKey of [(Z)-octadec-9-enoxy]-phenylphosphinic acid?
The InChIKey is UTNBUESLVHUPQM-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H41O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-28(25,26)24-21-18-17-19-22-24/h9-10,17-19,21-22H,2-8,11-16,20,23H2,1H3,(H,25,26)/b10-9-.
What are the key properties of [(Z)-octadec-9-enoxy]-phenylphosphinic acid?
[(Z)-octadec-9-enoxy]-phenylphosphinic acid has a molecular weight of 408.56 g/mol, XLogP of 7.55, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-octadec-9-enoxy]-phenylphosphinic acid is sourced from PubChem (CID 175578268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).