13-diethoxyphosphoryltridecanoic acid

C17H35O5P — CID 87637864

IUPAC13-diethoxyphosphoryltridecanoic acid
SMILESCCOP(=O)(CCCCCCCCCCCCC(=O)O)OCC
InChIInChI=1S/C17H35O5P/c1-3-21-23(20,22-4-2)16-14-12-10-8-6-5-7-9-11-13-15-17(18)19/h3-16H2,1-2H3,(H,18,19)
InChIKeyGNOIDRWUACCAOS-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.63
Rot. Bonds17

About 13-diethoxyphosphoryltridecanoic acid

13-diethoxyphosphoryltridecanoic acid (PubChem CID 87637864) has the molecular formula C17H35O5P and a molecular weight of 350.44 g/mol. Its IUPAC name is 13-diethoxyphosphoryltridecanoic acid.

Molecular Properties

Compound Name13-diethoxyphosphoryltridecanoic acid
PubChem CID87637864
Molecular FormulaC17H35O5P
Molecular Weight350.44 g/mol
Exact Mass350.22
IUPAC Name13-diethoxyphosphoryltridecanoic acid
SMILESCCOP(=O)(CCCCCCCCCCCCC(=O)O)OCC
InChIInChI=1S/C17H35O5P/c1-3-21-23(20,22-4-2)16-14-12-10-8-6-5-7-9-11-13-15-17(18)19/h3-16H2,1-2H3,(H,18,19)
InChIKeyGNOIDRWUACCAOS-UHFFFAOYSA-N
XLogP5.63
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.63
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'}

Analyze 13-diethoxyphosphoryltridecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-diethoxyphosphorylundecanoic acid
CID 45158998
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 13-diethoxyphosphoryltridecanoic acid?
The IUPAC name of 13-diethoxyphosphoryltridecanoic acid (CID 87637864) is 13-diethoxyphosphoryltridecanoic acid.
What is the SMILES notation for 13-diethoxyphosphoryltridecanoic acid?
The canonical SMILES for 13-diethoxyphosphoryltridecanoic acid is CCOP(=O)(CCCCCCCCCCCCC(=O)O)OCC.
What is the InChIKey of 13-diethoxyphosphoryltridecanoic acid?
The InChIKey is GNOIDRWUACCAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35O5P/c1-3-21-23(20,22-4-2)16-14-12-10-8-6-5-7-9-11-13-15-17(18)19/h3-16H2,1-2H3,(H,18,19).
What are the key properties of 13-diethoxyphosphoryltridecanoic acid?
13-diethoxyphosphoryltridecanoic acid has a molecular weight of 350.44 g/mol, XLogP of 5.63, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-diethoxyphosphoryltridecanoic acid is sourced from PubChem (CID 87637864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).