pentadecyl(penta-2,4-dienoxy)phosphinic acid

C20H39O3P — CID 174788644

IUPACpentadecyl(penta-2,4-dienoxy)phosphinic acid
SMILESC=CC=CCOP(=O)(O)CCCCCCCCCCCCCCC
InChIInChI=1S/C20H39O3P/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-24(21,22)23-19-17-6-4-2/h4,6,17H,2-3,5,7-16,18-20H2,1H3,(H,21,22)
InChIKeyXCSIOGUQWQUWCB-UHFFFAOYSA-N
MW358.50 g/mol
LogP7.02
Rot. Bonds18

About pentadecyl(penta-2,4-dienoxy)phosphinic acid

pentadecyl(penta-2,4-dienoxy)phosphinic acid (PubChem CID 174788644) has the molecular formula C20H39O3P and a molecular weight of 358.50 g/mol. Its IUPAC name is pentadecyl(penta-2,4-dienoxy)phosphinic acid.

Molecular Properties

Compound Namepentadecyl(penta-2,4-dienoxy)phosphinic acid
PubChem CID174788644
Molecular FormulaC20H39O3P
Molecular Weight358.50 g/mol
Exact Mass358.26
IUPAC Namepentadecyl(penta-2,4-dienoxy)phosphinic acid
SMILESC=CC=CCOP(=O)(O)CCCCCCCCCCCCCCC
InChIInChI=1S/C20H39O3P/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-24(21,22)23-19-17-6-4-2/h4,6,17H,2-3,5,7-16,18-20H2,1H3,(H,21,22)
InChIKeyXCSIOGUQWQUWCB-UHFFFAOYSA-N
XLogP7.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.50
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

heptoxy(octadecyl)phosphinic acid
CID 139947141
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
hexyl(pentoxy)phosphinic acid
CID 139947056
iron;[(Z)-octadec-9-enoxy]-[(Z)-octadec-9-enyl]phosphinic acid
CID 87602188
ethenoxy(pentyl)phosphinic acid
CID 87577957
ethoxy(hexyl)phosphinic acid;methanol;phosphoric acid
CID 174685262
dichloromethane;ethoxy(hexyl)phosphinic acid
CID 174578772
butyl(decoxy)phosphinic acid
CID 139947140
butyl(hexoxy)phosphinic acid
CID 15271220
decyl(methoxy)phosphinic acid
CID 54568982

Frequently Asked Questions

What is the IUPAC name of pentadecyl(penta-2,4-dienoxy)phosphinic acid?
The IUPAC name of pentadecyl(penta-2,4-dienoxy)phosphinic acid (CID 174788644) is pentadecyl(penta-2,4-dienoxy)phosphinic acid.
What is the SMILES notation for pentadecyl(penta-2,4-dienoxy)phosphinic acid?
The canonical SMILES for pentadecyl(penta-2,4-dienoxy)phosphinic acid is C=CC=CCOP(=O)(O)CCCCCCCCCCCCCCC.
What is the InChIKey of pentadecyl(penta-2,4-dienoxy)phosphinic acid?
The InChIKey is XCSIOGUQWQUWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39O3P/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-24(21,22)23-19-17-6-4-2/h4,6,17H,2-3,5,7-16,18-20H2,1H3,(H,21,22).
What are the key properties of pentadecyl(penta-2,4-dienoxy)phosphinic acid?
pentadecyl(penta-2,4-dienoxy)phosphinic acid has a molecular weight of 358.50 g/mol, XLogP of 7.02, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecyl(penta-2,4-dienoxy)phosphinic acid is sourced from PubChem (CID 174788644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).