methoxy(octadec-9-enyl)phosphinate

C19H38O3P- — CID 57357331

IUPACmethoxy(octadec-9-enyl)phosphinate
SMILESCCCCCCCCC=CCCCCCCCCP(=O)([O-])OC
InChIInChI=1S/C19H39O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h10-11H,3-9,12-19H2,1-2H3,(H,20,21)/p-1
InChIKeyNIEGMZIWZZXIRN-UHFFFAOYSA-M
MW345.48 g/mol
LogP6.22
Rot. Bonds17

About methoxy(octadec-9-enyl)phosphinate

methoxy(octadec-9-enyl)phosphinate (PubChem CID 57357331) has the molecular formula C19H38O3P- and a molecular weight of 345.48 g/mol. Its IUPAC name is methoxy(octadec-9-enyl)phosphinate.

Molecular Properties

Compound Namemethoxy(octadec-9-enyl)phosphinate
PubChem CID57357331
Molecular FormulaC19H38O3P-
Molecular Weight345.48 g/mol
Exact Mass345.26
IUPAC Namemethoxy(octadec-9-enyl)phosphinate
SMILESCCCCCCCCC=CCCCCCCCCP(=O)([O-])OC
InChIInChI=1S/C19H39O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h10-11H,3-9,12-19H2,1-2H3,(H,20,21)/p-1
InChIKeyNIEGMZIWZZXIRN-UHFFFAOYSA-M
XLogP6.22
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.48
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methoxy(octadec-9-enyl)phosphinate?
The IUPAC name of methoxy(octadec-9-enyl)phosphinate (CID 57357331) is methoxy(octadec-9-enyl)phosphinate.
What is the SMILES notation for methoxy(octadec-9-enyl)phosphinate?
The canonical SMILES for methoxy(octadec-9-enyl)phosphinate is CCCCCCCCC=CCCCCCCCCP(=O)([O-])OC.
What is the InChIKey of methoxy(octadec-9-enyl)phosphinate?
The InChIKey is NIEGMZIWZZXIRN-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H39O3P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h10-11H,3-9,12-19H2,1-2H3,(H,20,21)/p-1.
What are the key properties of methoxy(octadec-9-enyl)phosphinate?
methoxy(octadec-9-enyl)phosphinate has a molecular weight of 345.48 g/mol, XLogP of 6.22, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(octadec-9-enyl)phosphinate is sourced from PubChem (CID 57357331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).