ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium

C10H20O2P+ — CID 11287176

IUPACethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
SMILESCCC/C=C(\CCC)[P+](=O)OCC
InChIInChI=1S/C10H20O2P/c1-4-7-9-10(8-5-2)13(11)12-6-3/h9H,4-8H2,1-3H3/q+1/b10-9+
InChIKeyIXZJMBSSVZAUGC-MDZDMXLPSA-N
MW203.24 g/mol
LogP4.25
Rot. Bonds7

About ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium

ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium (PubChem CID 11287176) has the molecular formula C10H20O2P+ and a molecular weight of 203.24 g/mol. Its IUPAC name is ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium.

Molecular Properties

Compound Nameethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
PubChem CID11287176
Molecular FormulaC10H20O2P+
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nameethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
SMILESCCC/C=C(\CCC)[P+](=O)OCC
InChIInChI=1S/C10H20O2P/c1-4-7-9-10(8-5-2)13(11)12-6-3/h9H,4-8H2,1-3H3/q+1/b10-9+
InChIKeyIXZJMBSSVZAUGC-MDZDMXLPSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium?
The IUPAC name of ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium (CID 11287176) is ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium.
What is the SMILES notation for ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium?
The canonical SMILES for ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium is CCC/C=C(\CCC)[P+](=O)OCC.
What is the InChIKey of ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium?
The InChIKey is IXZJMBSSVZAUGC-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H20O2P/c1-4-7-9-10(8-5-2)13(11)12-6-3/h9H,4-8H2,1-3H3/q+1/b10-9+.
What are the key properties of ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium?
ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium has a molecular weight of 203.24 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium is sourced from PubChem (CID 11287176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).