(2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid

C15H30NO5P — CID 23431444

IUPAC(2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid
SMILESCC(C)CCC(=O)CCCC(=O)CCC(C)(C)OP(N)(=O)O
InChIInChI=1S/C15H30NO5P/c1-12(2)8-9-13(17)6-5-7-14(18)10-11-15(3,4)21-22(16,19)20/h12H,5-11H2,1-4H3,(H3,16,19,20)
InChIKeyXRKFPSWLARZXGL-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.37
Rot. Bonds12

About (2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid

(2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid (PubChem CID 23431444) has the molecular formula C15H30NO5P and a molecular weight of 335.38 g/mol. Its IUPAC name is (2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid.

Molecular Properties

Compound Name(2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid
PubChem CID23431444
Molecular FormulaC15H30NO5P
Molecular Weight335.38 g/mol
Exact Mass335.19
IUPAC Name(2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid
SMILESCC(C)CCC(=O)CCCC(=O)CCC(C)(C)OP(N)(=O)O
InChIInChI=1S/C15H30NO5P/c1-12(2)8-9-13(17)6-5-7-14(18)10-11-15(3,4)21-22(16,19)20/h12H,5-11H2,1-4H3,(H3,16,19,20)
InChIKeyXRKFPSWLARZXGL-UHFFFAOYSA-N
XLogP3.37
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid?
The IUPAC name of (2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid (CID 23431444) is (2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid.
What is the SMILES notation for (2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid?
The canonical SMILES for (2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid is CC(C)CCC(=O)CCCC(=O)CCC(C)(C)OP(N)(=O)O.
What is the InChIKey of (2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid?
The InChIKey is XRKFPSWLARZXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30NO5P/c1-12(2)8-9-13(17)6-5-7-14(18)10-11-15(3,4)21-22(16,19)20/h12H,5-11H2,1-4H3,(H3,16,19,20).
What are the key properties of (2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid?
(2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid has a molecular weight of 335.38 g/mol, XLogP of 3.37, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,12-dimethyl-5,9-dioxotridecan-2-yl)oxyphosphonamidic acid is sourced from PubChem (CID 23431444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).