decan-2-yloxy(methyl)phosphinate

C11H24O3P- — CID 170850603

IUPACdecan-2-yloxy(methyl)phosphinate
SMILESCCCCCCCCC(C)OP(C)(=O)[O-]
InChIInChI=1S/C11H25O3P/c1-4-5-6-7-8-9-10-11(2)14-15(3,12)13/h11H,4-10H2,1-3H3,(H,12,13)/p-1
InChIKeyCJGBXYLNRFGAMM-UHFFFAOYSA-M
MW235.28 g/mol
LogP3.33
Rot. Bonds9

About decan-2-yloxy(methyl)phosphinate

decan-2-yloxy(methyl)phosphinate (PubChem CID 170850603) has the molecular formula C11H24O3P- and a molecular weight of 235.28 g/mol. Its IUPAC name is decan-2-yloxy(methyl)phosphinate.

Molecular Properties

Compound Namedecan-2-yloxy(methyl)phosphinate
PubChem CID170850603
Molecular FormulaC11H24O3P-
Molecular Weight235.28 g/mol
Exact Mass235.15
IUPAC Namedecan-2-yloxy(methyl)phosphinate
SMILESCCCCCCCCC(C)OP(C)(=O)[O-]
InChIInChI=1S/C11H25O3P/c1-4-5-6-7-8-9-10-11(2)14-15(3,12)13/h11H,4-10H2,1-3H3,(H,12,13)/p-1
InChIKeyCJGBXYLNRFGAMM-UHFFFAOYSA-M
XLogP3.33
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze decan-2-yloxy(methyl)phosphinate 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

nonadecan-2-yl phosphate
CID 21219886
dioctan-2-yl phosphate;iron(2+)
CID 157379729
dipotassium;tridecan-2-yl phosphate
CID 139671549
tris(dioctan-2-yl phosphate);neodymium(3+)
CID 22237881
2-[ethyl(octan-2-yloxy)phosphoryl]oxyoctane
CID 170850980
2-[octan-2-yl(octan-2-yloxy)phosphoryl]oxyoctane
CID 88710365
dihexan-2-yl phosphate;zinc
CID 140567710
octan-2-yloxy(propyl)phosphinic acid
CID 87194607
2-ethylhexyl octan-2-yl phosphate
CID 18459399
decan-2-yl fluoro hydrogen phosphate
CID 175171865
bis(2-ethylhexyl octan-2-yl phosphate);nickel(2+)
CID 87135845
butyl diheptan-2-yl phosphate
CID 22497679

Frequently Asked Questions

What is the IUPAC name of decan-2-yloxy(methyl)phosphinate?
The IUPAC name of decan-2-yloxy(methyl)phosphinate (CID 170850603) is decan-2-yloxy(methyl)phosphinate.
What is the SMILES notation for decan-2-yloxy(methyl)phosphinate?
The canonical SMILES for decan-2-yloxy(methyl)phosphinate is CCCCCCCCC(C)OP(C)(=O)[O-].
What is the InChIKey of decan-2-yloxy(methyl)phosphinate?
The InChIKey is CJGBXYLNRFGAMM-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H25O3P/c1-4-5-6-7-8-9-10-11(2)14-15(3,12)13/h11H,4-10H2,1-3H3,(H,12,13)/p-1.
What are the key properties of decan-2-yloxy(methyl)phosphinate?
decan-2-yloxy(methyl)phosphinate has a molecular weight of 235.28 g/mol, XLogP of 3.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-yloxy(methyl)phosphinate is sourced from PubChem (CID 170850603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).