methyl(9-propan-2-yloxynonoxy)phosphinate

C13H28O4P- — CID 140649325

IUPACmethyl(9-propan-2-yloxynonoxy)phosphinate
SMILESCC(C)OCCCCCCCCCOP(C)(=O)[O-]
InChIInChI=1S/C13H29O4P/c1-13(2)16-11-9-7-5-4-6-8-10-12-17-18(3,14)15/h13H,4-12H2,1-3H3,(H,14,15)/p-1
InChIKeyQNWVFTRIXZJXEG-UHFFFAOYSA-M
MW279.34 g/mol
LogP3.34
Rot. Bonds12

About methyl(9-propan-2-yloxynonoxy)phosphinate

methyl(9-propan-2-yloxynonoxy)phosphinate (PubChem CID 140649325) has the molecular formula C13H28O4P- and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl(9-propan-2-yloxynonoxy)phosphinate.

Molecular Properties

Compound Namemethyl(9-propan-2-yloxynonoxy)phosphinate
PubChem CID140649325
Molecular FormulaC13H28O4P-
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Namemethyl(9-propan-2-yloxynonoxy)phosphinate
SMILESCC(C)OCCCCCCCCCOP(C)(=O)[O-]
InChIInChI=1S/C13H29O4P/c1-13(2)16-11-9-7-5-4-6-8-10-12-17-18(3,14)15/h13H,4-12H2,1-3H3,(H,14,15)/p-1
InChIKeyQNWVFTRIXZJXEG-UHFFFAOYSA-M
XLogP3.34
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
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

1,6-di(propan-2-yloxy)hexane
CID 10899702
propan-2-yl 9-propan-2-yloxynonyl hydrogen phosphate
CID 90328876
methyl 3-propan-2-yloxypropyl hydrogen phosphate
CID 89017051
2-methoxyethoxy(methyl)phosphinate
CID 140680412
methane;methyl(3-trihydroxysilylpropoxy)phosphinate
CID 165099951
18-(4-iodophenyl)octadecoxy-methylphosphinate
CID 58185125
1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157339053
9-propan-2-yloxynonyl 2-methylprop-2-enoate
CID 58451766
diicosyl phosphate
CID 21219883
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
hexoxy(hexyl)phosphinate;iron(2+)
CID 87602875
hexoxy(hexyl)phosphinate;nickel(2+)
CID 87135978

Frequently Asked Questions

What is the IUPAC name of methyl(9-propan-2-yloxynonoxy)phosphinate?
The IUPAC name of methyl(9-propan-2-yloxynonoxy)phosphinate (CID 140649325) is methyl(9-propan-2-yloxynonoxy)phosphinate.
What is the SMILES notation for methyl(9-propan-2-yloxynonoxy)phosphinate?
The canonical SMILES for methyl(9-propan-2-yloxynonoxy)phosphinate is CC(C)OCCCCCCCCCOP(C)(=O)[O-].
What is the InChIKey of methyl(9-propan-2-yloxynonoxy)phosphinate?
The InChIKey is QNWVFTRIXZJXEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H29O4P/c1-13(2)16-11-9-7-5-4-6-8-10-12-17-18(3,14)15/h13H,4-12H2,1-3H3,(H,14,15)/p-1.
What are the key properties of methyl(9-propan-2-yloxynonoxy)phosphinate?
methyl(9-propan-2-yloxynonoxy)phosphinate has a molecular weight of 279.34 g/mol, XLogP of 3.34, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(9-propan-2-yloxynonoxy)phosphinate is sourced from PubChem (CID 140649325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).