butoxy-nonan-5-yl-oxophosphanium

C13H28O2P+ — CID 87283149

IUPACbutoxy-nonan-5-yl-oxophosphanium
SMILESCCCCO[P+](=O)C(CCCC)CCCC
InChIInChI=1S/C13H28O2P/c1-4-7-10-13(11-8-5-2)16(14)15-12-9-6-3/h13H,4-12H2,1-3H3/q+1
InChIKeyOAJRWIMPEWVWNZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP5.29
Rot. Bonds11

About butoxy-nonan-5-yl-oxophosphanium

butoxy-nonan-5-yl-oxophosphanium (PubChem CID 87283149) has the molecular formula C13H28O2P+ and a molecular weight of 247.34 g/mol. Its IUPAC name is butoxy-nonan-5-yl-oxophosphanium.

Molecular Properties

Compound Namebutoxy-nonan-5-yl-oxophosphanium
PubChem CID87283149
Molecular FormulaC13H28O2P+
Molecular Weight247.34 g/mol
Exact Mass247.18
IUPAC Namebutoxy-nonan-5-yl-oxophosphanium
SMILESCCCCO[P+](=O)C(CCCC)CCCC
InChIInChI=1S/C13H28O2P/c1-4-7-10-13(11-8-5-2)16(14)15-12-9-6-3/h13H,4-12H2,1-3H3/q+1
InChIKeyOAJRWIMPEWVWNZ-UHFFFAOYSA-N
XLogP5.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.34
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butoxy-nonan-5-yl-oxophosphanium 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

butoxy-heptan-4-yl-oxophosphanium
CID 87399200
butoxy-(dichloromethyl)-oxophosphanium
CID 154120622
ethoxy-octan-3-yl-oxophosphanium
CID 20976036
dipotassium;butoxy-hydroxy-oxophosphanium;hydride
CID 173240292
butoxy-hydroxy-oxophosphanium;hexadecane
CID 87605082
calcium bis(butoxy-oxido-oxophosphanium)
CID 161238032
butoxy-dodecoxy-oxophosphanium
CID 175103299
decan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium
CID 175364038
alumane;hydroxy-oxo-pentoxyphosphanium
CID 175153464
hydride;hydroxy-oxo-pentoxyphosphanium;rubidium(1+)
CID 173073813
azane;hexoxy-hydroxy-oxophosphanium
CID 174618925
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459

Frequently Asked Questions

What is the IUPAC name of butoxy-nonan-5-yl-oxophosphanium?
The IUPAC name of butoxy-nonan-5-yl-oxophosphanium (CID 87283149) is butoxy-nonan-5-yl-oxophosphanium.
What is the SMILES notation for butoxy-nonan-5-yl-oxophosphanium?
The canonical SMILES for butoxy-nonan-5-yl-oxophosphanium is CCCCO[P+](=O)C(CCCC)CCCC.
What is the InChIKey of butoxy-nonan-5-yl-oxophosphanium?
The InChIKey is OAJRWIMPEWVWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2P/c1-4-7-10-13(11-8-5-2)16(14)15-12-9-6-3/h13H,4-12H2,1-3H3/q+1.
What are the key properties of butoxy-nonan-5-yl-oxophosphanium?
butoxy-nonan-5-yl-oxophosphanium has a molecular weight of 247.34 g/mol, XLogP of 5.29, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-nonan-5-yl-oxophosphanium is sourced from PubChem (CID 87283149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).