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

C18H37O3P — CID 6912098

IUPAC[(Z)-octadec-9-enyl]phosphonic acid
SMILESCCCCCCCC/C=C\CCCCCCCCP(=O)(O)O
InChIInChI=1S/C18H37O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21)/b10-9-
InChIKeyYVWWBZNNFADTDI-KTKRTIGZSA-N
MW332.47 g/mol
LogP6.20
Rot. Bonds16

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

[(Z)-octadec-9-enyl]phosphonic acid (PubChem CID 6912098) has the molecular formula C18H37O3P and a molecular weight of 332.47 g/mol. Its IUPAC name is [(Z)-octadec-9-enyl]phosphonic acid.

Molecular Properties

Compound Name[(Z)-octadec-9-enyl]phosphonic acid
PubChem CID6912098
Molecular FormulaC18H37O3P
Molecular Weight332.47 g/mol
Exact Mass332.25
IUPAC Name[(Z)-octadec-9-enyl]phosphonic acid
SMILESCCCCCCCC/C=C\CCCCCCCCP(=O)(O)O
InChIInChI=1S/C18H37O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21)/b10-9-
InChIKeyYVWWBZNNFADTDI-KTKRTIGZSA-N
XLogP6.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.47
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of [(Z)-octadec-9-enyl]phosphonic acid?
The IUPAC name of [(Z)-octadec-9-enyl]phosphonic acid (CID 6912098) is [(Z)-octadec-9-enyl]phosphonic acid.
What is the SMILES notation for [(Z)-octadec-9-enyl]phosphonic acid?
The canonical SMILES for [(Z)-octadec-9-enyl]phosphonic acid is CCCCCCCC/C=C\CCCCCCCCP(=O)(O)O.
What is the InChIKey of [(Z)-octadec-9-enyl]phosphonic acid?
The InChIKey is YVWWBZNNFADTDI-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H37O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h9-10H,2-8,11-18H2,1H3,(H2,19,20,21)/b10-9-.
What are the key properties of [(Z)-octadec-9-enyl]phosphonic acid?
[(Z)-octadec-9-enyl]phosphonic acid has a molecular weight of 332.47 g/mol, XLogP of 6.20, 16 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-octadec-9-enyl]phosphonic acid is sourced from PubChem (CID 6912098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).