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

C21H43O3P — CID 139947162

IUPAC[(Z)-octadec-9-enoxy]-propylphosphinic acid
SMILESCCCCCCCC/C=C\CCCCCCCCOP(=O)(O)CCC
InChIInChI=1S/C21H43O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(22,23)21-4-2/h11-12H,3-10,13-21H2,1-2H3,(H,22,23)/b12-11-
InChIKeyYVXTZQOWLGKQPV-QXMHVHEDSA-N
MW374.55 g/mol
LogP7.64
Rot. Bonds19

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

[(Z)-octadec-9-enoxy]-propylphosphinic acid (PubChem CID 139947162) has the molecular formula C21H43O3P and a molecular weight of 374.55 g/mol. Its IUPAC name is [(Z)-octadec-9-enoxy]-propylphosphinic acid.

Molecular Properties

Compound Name[(Z)-octadec-9-enoxy]-propylphosphinic acid
PubChem CID139947162
Molecular FormulaC21H43O3P
Molecular Weight374.55 g/mol
Exact Mass374.29
IUPAC Name[(Z)-octadec-9-enoxy]-propylphosphinic acid
SMILESCCCCCCCC/C=C\CCCCCCCCOP(=O)(O)CCC
InChIInChI=1S/C21H43O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(22,23)21-4-2/h11-12H,3-10,13-21H2,1-2H3,(H,22,23)/b12-11-
InChIKeyYVXTZQOWLGKQPV-QXMHVHEDSA-N
XLogP7.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.55
LogP ≤ 57.64
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

iron;[(Z)-octadec-9-enoxy]-[(Z)-octadec-9-enyl]phosphinic acid
CID 87602188
[(Z)-hexadec-9-enyl] dihydrogen phosphate
CID 122597985
hexyl(pentoxy)phosphinic acid
CID 139947056
butyl(decoxy)phosphinic acid
CID 139947140
butyl(hexoxy)phosphinic acid
CID 15271220
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
heptoxy(octadecyl)phosphinic acid
CID 139947141
methyl octadec-9-enyl hydrogen phosphate
CID 90872406
[(Z)-docos-13-enyl] 3-(pentylamino)propyl hydrogen phosphate
CID 143491024
2-[hydroxy-[(Z)-nonadec-10-enoxy]phosphoryl]oxyethyl-trimethylazanium
CID 11744356
(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]-propylphosphinic acid?
The IUPAC name of [(Z)-octadec-9-enoxy]-propylphosphinic acid (CID 139947162) is [(Z)-octadec-9-enoxy]-propylphosphinic acid.
What is the SMILES notation for [(Z)-octadec-9-enoxy]-propylphosphinic acid?
The canonical SMILES for [(Z)-octadec-9-enoxy]-propylphosphinic acid is CCCCCCCC/C=C\CCCCCCCCOP(=O)(O)CCC.
What is the InChIKey of [(Z)-octadec-9-enoxy]-propylphosphinic acid?
The InChIKey is YVXTZQOWLGKQPV-QXMHVHEDSA-N. The full InChI is InChI=1S/C21H43O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(22,23)21-4-2/h11-12H,3-10,13-21H2,1-2H3,(H,22,23)/b12-11-.
What are the key properties of [(Z)-octadec-9-enoxy]-propylphosphinic acid?
[(Z)-octadec-9-enoxy]-propylphosphinic acid has a molecular weight of 374.55 g/mol, XLogP of 7.64, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-octadec-9-enoxy]-propylphosphinic acid is sourced from PubChem (CID 139947162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).