ethoxy-octan-3-yl-oxophosphanium

C10H22O2P+ — CID 20976036

IUPACethoxy-octan-3-yl-oxophosphanium
SMILESCCCCCC(CC)[P+](=O)OCC
InChIInChI=1S/C10H22O2P/c1-4-7-8-9-10(5-2)13(11)12-6-3/h10H,4-9H2,1-3H3/q+1
InChIKeyYITLLUMHBKTJKE-UHFFFAOYSA-N
MW205.26 g/mol
LogP4.12
Rot. Bonds8

About ethoxy-octan-3-yl-oxophosphanium

ethoxy-octan-3-yl-oxophosphanium (PubChem CID 20976036) has the molecular formula C10H22O2P+ and a molecular weight of 205.26 g/mol. Its IUPAC name is ethoxy-octan-3-yl-oxophosphanium.

Molecular Properties

Compound Nameethoxy-octan-3-yl-oxophosphanium
PubChem CID20976036
Molecular FormulaC10H22O2P+
Molecular Weight205.26 g/mol
Exact Mass205.14
IUPAC Nameethoxy-octan-3-yl-oxophosphanium
SMILESCCCCCC(CC)[P+](=O)OCC
InChIInChI=1S/C10H22O2P/c1-4-7-8-9-10(5-2)13(11)12-6-3/h10H,4-9H2,1-3H3/q+1
InChIKeyYITLLUMHBKTJKE-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 54.12
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 ethoxy-octan-3-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-nonan-5-yl-oxophosphanium
CID 87283149
decan-5-yl-hydroxy-oxophosphanium;hydroxy-octan-3-yl-oxophosphanium
CID 175364038
butoxy-heptan-4-yl-oxophosphanium
CID 87399200
diethoxy(oxo)phosphanium;tributyl(ethyl)phosphanium
CID 175740347
1-diethoxyphosphanylpentyl-ethoxy-oxophosphanium
CID 177396345
bis(3-ethyldecoxy)-oxophosphanium
CID 175430698
ethoxy-octyl-oxophosphanium
CID 14512429
ethoxy-oxo-pentoxyphosphanium
CID 86182061
ethoxy-hexoxy-oxophosphanium
CID 6329155
neodymium;octan-2-yl-octan-2-yloxy-oxophosphanium
CID 87549293
1-cyanopropyl-ethoxy-oxophosphanium
CID 130464298
3-octan-3-yloxyoctane;phosphoric acid
CID 118002382

Frequently Asked Questions

What is the IUPAC name of ethoxy-octan-3-yl-oxophosphanium?
The IUPAC name of ethoxy-octan-3-yl-oxophosphanium (CID 20976036) is ethoxy-octan-3-yl-oxophosphanium.
What is the SMILES notation for ethoxy-octan-3-yl-oxophosphanium?
The canonical SMILES for ethoxy-octan-3-yl-oxophosphanium is CCCCCC(CC)[P+](=O)OCC.
What is the InChIKey of ethoxy-octan-3-yl-oxophosphanium?
The InChIKey is YITLLUMHBKTJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2P/c1-4-7-8-9-10(5-2)13(11)12-6-3/h10H,4-9H2,1-3H3/q+1.
What are the key properties of ethoxy-octan-3-yl-oxophosphanium?
ethoxy-octan-3-yl-oxophosphanium has a molecular weight of 205.26 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-octan-3-yl-oxophosphanium is sourced from PubChem (CID 20976036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).