ethoxy-[(E)-oct-1-enyl]-oxophosphanium

C10H20O2P+ — CID 11298657

IUPACethoxy-[(E)-oct-1-enyl]-oxophosphanium
SMILESCCCCCC/C=C/[P+](=O)OCC
InChIInChI=1S/C10H20O2P/c1-3-5-6-7-8-9-10-13(11)12-4-2/h9-10H,3-8H2,1-2H3/q+1/b10-9+
InChIKeyAZAVUPGDFXLPCI-MDZDMXLPSA-N
MW203.24 g/mol
LogP4.25
Rot. Bonds8

About ethoxy-[(E)-oct-1-enyl]-oxophosphanium

ethoxy-[(E)-oct-1-enyl]-oxophosphanium (PubChem CID 11298657) has the molecular formula C10H20O2P+ and a molecular weight of 203.24 g/mol. Its IUPAC name is ethoxy-[(E)-oct-1-enyl]-oxophosphanium.

Molecular Properties

Compound Nameethoxy-[(E)-oct-1-enyl]-oxophosphanium
PubChem CID11298657
Molecular FormulaC10H20O2P+
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameethoxy-[(E)-oct-1-enyl]-oxophosphanium
SMILESCCCCCC/C=C/[P+](=O)OCC
InChIInChI=1S/C10H20O2P/c1-3-5-6-7-8-9-10-13(11)12-4-2/h9-10H,3-8H2,1-2H3/q+1/b10-9+
InChIKeyAZAVUPGDFXLPCI-MDZDMXLPSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 54.25
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-[(E)-oct-1-enyl]-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethoxy-[(E)-oct-1-enyl]-oxophosphanium?
The IUPAC name of ethoxy-[(E)-oct-1-enyl]-oxophosphanium (CID 11298657) is ethoxy-[(E)-oct-1-enyl]-oxophosphanium.
What is the SMILES notation for ethoxy-[(E)-oct-1-enyl]-oxophosphanium?
The canonical SMILES for ethoxy-[(E)-oct-1-enyl]-oxophosphanium is CCCCCC/C=C/[P+](=O)OCC.
What is the InChIKey of ethoxy-[(E)-oct-1-enyl]-oxophosphanium?
The InChIKey is AZAVUPGDFXLPCI-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H20O2P/c1-3-5-6-7-8-9-10-13(11)12-4-2/h9-10H,3-8H2,1-2H3/q+1/b10-9+.
What are the key properties of ethoxy-[(E)-oct-1-enyl]-oxophosphanium?
ethoxy-[(E)-oct-1-enyl]-oxophosphanium has a molecular weight of 203.24 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[(E)-oct-1-enyl]-oxophosphanium is sourced from PubChem (CID 11298657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).