[(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid

C25H43O3P — CID 139947168

IUPAC[(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid
SMILESCCCCCCCC/C=C\CCCCCCCCP(=O)(O)OCc1ccccc1
InChIInChI=1S/C25H43O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29(26,27)28-24-25-21-18-17-19-22-25/h9-10,17-19,21-22H,2-8,11-16,20,23-24H2,1H3,(H,26,27)/b10-9-
InChIKeyGOLRKRVFXCYCNY-KTKRTIGZSA-N
MW422.59 g/mol
LogP8.43
Rot. Bonds19

About [(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid

[(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid (PubChem CID 139947168) has the molecular formula C25H43O3P and a molecular weight of 422.59 g/mol. Its IUPAC name is [(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid.

Molecular Properties

Compound Name[(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid
PubChem CID139947168
Molecular FormulaC25H43O3P
Molecular Weight422.59 g/mol
Exact Mass422.29
IUPAC Name[(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid
SMILESCCCCCCCC/C=C\CCCCCCCCP(=O)(O)OCc1ccccc1
InChIInChI=1S/C25H43O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29(26,27)28-24-25-21-18-17-19-22-25/h9-10,17-19,21-22H,2-8,11-16,20,23-24H2,1H3,(H,26,27)/b10-9-
InChIKeyGOLRKRVFXCYCNY-KTKRTIGZSA-N
XLogP8.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.59
LogP ≤ 58.43
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
benzyl (9Z,12Z)-octadeca-9,12-dienoate
CID 5368290
[(Z)-octadec-9-enoxy]-phenylphosphinic acid
CID 175578268
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
undec-4-enoxymethylbenzene
CID 158781580
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
benzyl dihydrogen phosphate;octan-1-amine
CID 160516288
azane;benzyl hexadecyl hydrogen phosphate
CID 174524131
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
phenoxy(undecyl)phosphinic acid
CID 87383274
[(Z)-octadec-9-enoxy]-propylphosphinic acid
CID 139947162
4-dec-1-enyl-N-phenylmethoxybenzamide
CID 54438023

Frequently Asked Questions

What is the IUPAC name of [(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid?
The IUPAC name of [(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid (CID 139947168) is [(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid.
What is the SMILES notation for [(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid?
The canonical SMILES for [(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid is CCCCCCCC/C=C\CCCCCCCCP(=O)(O)OCc1ccccc1.
What is the InChIKey of [(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid?
The InChIKey is GOLRKRVFXCYCNY-KTKRTIGZSA-N. The full InChI is InChI=1S/C25H43O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29(26,27)28-24-25-21-18-17-19-22-25/h9-10,17-19,21-22H,2-8,11-16,20,23-24H2,1H3,(H,26,27)/b10-9-.
What are the key properties of [(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid?
[(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid has a molecular weight of 422.59 g/mol, XLogP of 8.43, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid is sourced from PubChem (CID 139947168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).