2-ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane

C12H25O4P2+ — CID 90740676

IUPAC2-ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane
SMILESC=CCO[P+](=O)OCC(CC)CCCC.CP=O
InChIInChI=1S/C11H22O3P.CH3OP/c1-4-7-8-11(6-3)10-14-15(12)13-9-5-2;1-3-2/h5,11H,2,4,6-10H2,1,3H3;1H3/q+1;
InChIKeyAIZCOIHHYQTSSH-UHFFFAOYSA-N
MW295.28 g/mol
LogP4.99
Rot. Bonds10

About 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane

2-ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane (PubChem CID 90740676) has the molecular formula C12H25O4P2+ and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane.

Molecular Properties

Compound Name2-ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane
PubChem CID90740676
Molecular FormulaC12H25O4P2+
Molecular Weight295.28 g/mol
Exact Mass295.12
IUPAC Name2-ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane
SMILESC=CCO[P+](=O)OCC(CC)CCCC.CP=O
InChIInChI=1S/C11H22O3P.CH3OP/c1-4-7-8-11(6-3)10-14-15(12)13-9-5-2;1-3-2/h5,11H,2,4,6-10H2,1,3H3;1H3/q+1;
InChIKeyAIZCOIHHYQTSSH-UHFFFAOYSA-N
XLogP4.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylhexyl prop-2-enyl hydrogen phosphate
CID 19842412
1-(2-Ethylhexoxy)-2,5-dihydro-1lambda5-phosphole 1-oxide
CID 20317627
2-Ethylhexoxy-oxo-prop-2-enoxyphosphanium
CID 21304178
3-[[Methyl(prop-2-enyl)phosphoryl]oxymethyl]heptane
CID 53773568
Bis(2-ethylhexyl) prop-2-enyl phosphate
CID 54101756
3-[[2-Ethylhexoxy(prop-2-enyl)phosphoryl]oxymethyl]heptane
CID 54362211
1-(2-Ethylhexoxy)-1lambda5-phosphole 1-oxide
CID 54449693
3-Butyl-3-ethyl-2-prop-2-enoxy-1,2lambda5-oxaphosphetane 2-oxide
CID 58819476
3-[[[(E)-but-2-enyl]-(2-ethylhexoxy)phosphoryl]oxymethyl]heptane
CID 87699736
Bis(but-2-enyl) 2-ethylhexyl phosphate
CID 88514553
But-3-enyl-(2-ethylhexoxy)-oxophosphanium
CID 88759680
1-Methyl-4-[methyl(prop-2-enoxy)phosphoryl]oxycyclohexane
CID 89803283

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane?
The IUPAC name of 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane (CID 90740676) is 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane.
What is the SMILES notation for 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane?
The canonical SMILES for 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane is C=CCO[P+](=O)OCC(CC)CCCC.CP=O.
What is the InChIKey of 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane?
The InChIKey is AIZCOIHHYQTSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3P.CH3OP/c1-4-7-8-11(6-3)10-14-15(12)13-9-5-2;1-3-2/h5,11H,2,4,6-10H2,1,3H3;1H3/q+1;.
What are the key properties of 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane?
2-ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane has a molecular weight of 295.28 g/mol, XLogP of 4.99, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium;phosphorosomethane is sourced from PubChem (CID 90740676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).