ethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid

C15H29O3P — CID 25214087

IUPACethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid
SMILESCCCCCCC(=C=C(CC)CC)P(=O)(O)OCC
InChIInChI=1S/C15H29O3P/c1-5-9-10-11-12-15(13-14(6-2)7-3)19(16,17)18-8-4/h5-12H2,1-4H3,(H,16,17)
InChIKeyDWMWXBNCZCVHJZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP5.41
Rot. Bonds10

About ethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid

ethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid (PubChem CID 25214087) has the molecular formula C15H29O3P and a molecular weight of 288.37 g/mol. Its IUPAC name is ethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid.

Molecular Properties

Compound Nameethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid
PubChem CID25214087
Molecular FormulaC15H29O3P
Molecular Weight288.37 g/mol
Exact Mass288.19
IUPAC Nameethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid
SMILESCCCCCCC(=C=C(CC)CC)P(=O)(O)OCC
InChIInChI=1S/C15H29O3P/c1-5-9-10-11-12-15(13-14(6-2)7-3)19(16,17)18-8-4/h5-12H2,1-4H3,(H,16,17)
InChIKeyDWMWXBNCZCVHJZ-UHFFFAOYSA-N
XLogP5.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.37
LogP ≤ 55.41
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'}

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Related Compounds

ethoxy(3-methylnona-3,4-dien-5-yl)phosphinic acid
CID 25215582
deca-5,6-dien-5-yl(ethoxy)phosphinic acid
CID 25214089
1-[chloro(ethoxy)phosphoryl]docosane
CID 71395533
dodecane;phosphoric acid
CID 88801558
[hydroxy(octadecanoyloxy)phosphoryl] octadecanoate
CID 50913067
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
2-aminoethoxy(octadecanoyl)phosphinic acid
CID 175563947
henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185

Frequently Asked Questions

What is the IUPAC name of ethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid?
The IUPAC name of ethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid (CID 25214087) is ethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid.
What is the SMILES notation for ethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid?
The canonical SMILES for ethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid is CCCCCCC(=C=C(CC)CC)P(=O)(O)OCC.
What is the InChIKey of ethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid?
The InChIKey is DWMWXBNCZCVHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29O3P/c1-5-9-10-11-12-15(13-14(6-2)7-3)19(16,17)18-8-4/h5-12H2,1-4H3,(H,16,17).
What are the key properties of ethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid?
ethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid has a molecular weight of 288.37 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(3-ethylundeca-3,4-dien-5-yl)phosphinic acid is sourced from PubChem (CID 25214087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).