3-aminopropyl-dodecoxy-oxophosphanium

C15H33NO2P+ — CID 91097507

IUPAC3-aminopropyl-dodecoxy-oxophosphanium
SMILESCCCCCCCCCCCCO[P+](=O)CCCN
InChIInChI=1S/C15H33NO2P/c1-2-3-4-5-6-7-8-9-10-11-14-18-19(17)15-12-13-16/h2-16H2,1H3/q+1
InChIKeyFOQCMEGOQGVLSL-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.02
Rot. Bonds15

About 3-aminopropyl-dodecoxy-oxophosphanium

3-aminopropyl-dodecoxy-oxophosphanium (PubChem CID 91097507) has the molecular formula C15H33NO2P+ and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-aminopropyl-dodecoxy-oxophosphanium.

Molecular Properties

Compound Name3-aminopropyl-dodecoxy-oxophosphanium
PubChem CID91097507
Molecular FormulaC15H33NO2P+
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name3-aminopropyl-dodecoxy-oxophosphanium
SMILESCCCCCCCCCCCCO[P+](=O)CCCN
InChIInChI=1S/C15H33NO2P/c1-2-3-4-5-6-7-8-9-10-11-14-18-19(17)15-12-13-16/h2-16H2,1H3/q+1
InChIKeyFOQCMEGOQGVLSL-UHFFFAOYSA-N
XLogP5.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

butyl-heptoxy-oxophosphanium
CID 22497580
neodymium;octoxy-octyl-oxophosphanium
CID 174731713
nonoxy-oxo-propylphosphanium
CID 174923561
ethoxy-octyl-oxophosphanium
CID 14512429
dodecoxy-octoxy-oxophosphanium
CID 154187352
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
2-[dodecyl(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 20977395
ethoxy-hexoxy-oxophosphanium
CID 6329155
butoxy-dodecoxy-oxophosphanium
CID 175103299
dioctoxy(oxo)phosphanium;zinc
CID 175522796

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl-dodecoxy-oxophosphanium?
The IUPAC name of 3-aminopropyl-dodecoxy-oxophosphanium (CID 91097507) is 3-aminopropyl-dodecoxy-oxophosphanium.
What is the SMILES notation for 3-aminopropyl-dodecoxy-oxophosphanium?
The canonical SMILES for 3-aminopropyl-dodecoxy-oxophosphanium is CCCCCCCCCCCCO[P+](=O)CCCN.
What is the InChIKey of 3-aminopropyl-dodecoxy-oxophosphanium?
The InChIKey is FOQCMEGOQGVLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2P/c1-2-3-4-5-6-7-8-9-10-11-14-18-19(17)15-12-13-16/h2-16H2,1H3/q+1.
What are the key properties of 3-aminopropyl-dodecoxy-oxophosphanium?
3-aminopropyl-dodecoxy-oxophosphanium has a molecular weight of 290.41 g/mol, XLogP of 5.02, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-dodecoxy-oxophosphanium is sourced from PubChem (CID 91097507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).