6-acetamidohexoxy(methyl)phosphinate

C9H19NO4P- — CID 58915908

IUPAC6-acetamidohexoxy(methyl)phosphinate
SMILESCC(=O)NCCCCCCOP(C)(=O)[O-]
InChIInChI=1S/C9H20NO4P/c1-9(11)10-7-5-3-4-6-8-14-15(2,12)13/h3-8H2,1-2H3,(H,10,11)(H,12,13)/p-1
InChIKeyLAKNCWIYXSZBJG-UHFFFAOYSA-M
MW236.23 g/mol
LogP0.88
Rot. Bonds8

About 6-acetamidohexoxy(methyl)phosphinate

6-acetamidohexoxy(methyl)phosphinate (PubChem CID 58915908) has the molecular formula C9H19NO4P- and a molecular weight of 236.23 g/mol. Its IUPAC name is 6-acetamidohexoxy(methyl)phosphinate.

Molecular Properties

Compound Name6-acetamidohexoxy(methyl)phosphinate
PubChem CID58915908
Molecular FormulaC9H19NO4P-
Molecular Weight236.23 g/mol
Exact Mass236.11
IUPAC Name6-acetamidohexoxy(methyl)phosphinate
SMILESCC(=O)NCCCCCCOP(C)(=O)[O-]
InChIInChI=1S/C9H20NO4P/c1-9(11)10-7-5-3-4-6-8-14-15(2,12)13/h3-8H2,1-2H3,(H,10,11)(H,12,13)/p-1
InChIKeyLAKNCWIYXSZBJG-UHFFFAOYSA-M
XLogP0.88
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.88
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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Frequently Asked Questions

What is the IUPAC name of 6-acetamidohexoxy(methyl)phosphinate?
The IUPAC name of 6-acetamidohexoxy(methyl)phosphinate (CID 58915908) is 6-acetamidohexoxy(methyl)phosphinate.
What is the SMILES notation for 6-acetamidohexoxy(methyl)phosphinate?
The canonical SMILES for 6-acetamidohexoxy(methyl)phosphinate is CC(=O)NCCCCCCOP(C)(=O)[O-].
What is the InChIKey of 6-acetamidohexoxy(methyl)phosphinate?
The InChIKey is LAKNCWIYXSZBJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20NO4P/c1-9(11)10-7-5-3-4-6-8-14-15(2,12)13/h3-8H2,1-2H3,(H,10,11)(H,12,13)/p-1.
What are the key properties of 6-acetamidohexoxy(methyl)phosphinate?
6-acetamidohexoxy(methyl)phosphinate has a molecular weight of 236.23 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamidohexoxy(methyl)phosphinate is sourced from PubChem (CID 58915908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).