11-diethoxyphosphorylundecanoic acid

C15H31O5P — CID 45158998

IUPAC11-diethoxyphosphorylundecanoic acid
SMILESCCOP(=O)(CCCCCCCCCCC(=O)O)OCC
InChIInChI=1S/C15H31O5P/c1-3-19-21(18,20-4-2)14-12-10-8-6-5-7-9-11-13-15(16)17/h3-14H2,1-2H3,(H,16,17)
InChIKeyFUYLQGOTIWWKQZ-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.85
Rot. Bonds15

About 11-diethoxyphosphorylundecanoic acid

11-diethoxyphosphorylundecanoic acid (PubChem CID 45158998) has the molecular formula C15H31O5P and a molecular weight of 322.38 g/mol. Its IUPAC name is 11-diethoxyphosphorylundecanoic acid.

Molecular Properties

Compound Name11-diethoxyphosphorylundecanoic acid
PubChem CID45158998
Molecular FormulaC15H31O5P
Molecular Weight322.38 g/mol
Exact Mass322.19
IUPAC Name11-diethoxyphosphorylundecanoic acid
SMILESCCOP(=O)(CCCCCCCCCCC(=O)O)OCC
InChIInChI=1S/C15H31O5P/c1-3-19-21(18,20-4-2)14-12-10-8-6-5-7-9-11-13-15(16)17/h3-14H2,1-2H3,(H,16,17)
InChIKeyFUYLQGOTIWWKQZ-UHFFFAOYSA-N
XLogP4.85
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

13-diethoxyphosphoryltridecanoic acid
CID 87637864
10-[ethoxy(hydroxy)phosphoryl]decanoic acid
CID 22016460
8-diethoxyphosphoryloctan-1-ol
CID 10515886
1-diethoxyphosphoryldecane
CID 2773697
5-diethoxyphosphoryl-2-methylpent-1-ene
CID 11345027
4-diethoxyphosphorylbutanehydrazide
CID 156632548
17-phosphonoheptadecanoic acid
CID 87457522
10-phosphonodecanoic acid
CID 87400342
33-phosphonotritriacontanoic acid
CID 87686825
3-dipropoxyphosphorylpropanoic acid
CID 34250012
N-(2-diethoxyphosphorylethyl)heptanamide
CID 143289197
12-(diethylamino)-12-oxododecanoic acid
CID 19794003

Frequently Asked Questions

What is the IUPAC name of 11-diethoxyphosphorylundecanoic acid?
The IUPAC name of 11-diethoxyphosphorylundecanoic acid (CID 45158998) is 11-diethoxyphosphorylundecanoic acid.
What is the SMILES notation for 11-diethoxyphosphorylundecanoic acid?
The canonical SMILES for 11-diethoxyphosphorylundecanoic acid is CCOP(=O)(CCCCCCCCCCC(=O)O)OCC.
What is the InChIKey of 11-diethoxyphosphorylundecanoic acid?
The InChIKey is FUYLQGOTIWWKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31O5P/c1-3-19-21(18,20-4-2)14-12-10-8-6-5-7-9-11-13-15(16)17/h3-14H2,1-2H3,(H,16,17).
What are the key properties of 11-diethoxyphosphorylundecanoic acid?
11-diethoxyphosphorylundecanoic acid has a molecular weight of 322.38 g/mol, XLogP of 4.85, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-diethoxyphosphorylundecanoic acid is sourced from PubChem (CID 45158998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).