2-ethylhexoxy-oxo-prop-2-enoxyphosphanium

C11H22O3P+ — CID 21304178

IUPAC2-ethylhexoxy-oxo-prop-2-enoxyphosphanium
SMILESC=CCO[P+](=O)OCC(CC)CCCC
InChIInChI=1S/C11H22O3P/c1-4-7-8-11(6-3)10-14-15(12)13-9-5-2/h5,11H,2,4,6-10H2,1,3H3/q+1
InChIKeyRGJFMPCMMNQRQD-UHFFFAOYSA-N
MW233.27 g/mol
LogP4.08
Rot. Bonds10

About 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium

2-ethylhexoxy-oxo-prop-2-enoxyphosphanium (PubChem CID 21304178) has the molecular formula C11H22O3P+ and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium.

Molecular Properties

Compound Name2-ethylhexoxy-oxo-prop-2-enoxyphosphanium
PubChem CID21304178
Molecular FormulaC11H22O3P+
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-ethylhexoxy-oxo-prop-2-enoxyphosphanium
SMILESC=CCO[P+](=O)OCC(CC)CCCC
InChIInChI=1S/C11H22O3P/c1-4-7-8-11(6-3)10-14-15(12)13-9-5-2/h5,11H,2,4,6-10H2,1,3H3/q+1
InChIKeyRGJFMPCMMNQRQD-UHFFFAOYSA-N
XLogP4.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
1-(2-Ethylhexoxy)-2,3-dihydro-1lambda5-phosphole 1-oxide
CID 21427403
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
2-Ethylhexyl vinylphosphonate
CID 85765042
3-[[[(E)-but-2-enyl]-(2-ethylhexoxy)phosphoryl]oxymethyl]heptane
CID 87699736
Bis(but-2-enyl) 2-ethylhexyl phosphate
CID 88514553
Tris(2-prop-2-enylhexyl) phosphate
CID 88745801

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium?
The IUPAC name of 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium (CID 21304178) is 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium.
What is the SMILES notation for 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium?
The canonical SMILES for 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium is C=CCO[P+](=O)OCC(CC)CCCC.
What is the InChIKey of 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium?
The InChIKey is RGJFMPCMMNQRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3P/c1-4-7-8-11(6-3)10-14-15(12)13-9-5-2/h5,11H,2,4,6-10H2,1,3H3/q+1.
What are the key properties of 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium?
2-ethylhexoxy-oxo-prop-2-enoxyphosphanium has a molecular weight of 233.27 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy-oxo-prop-2-enoxyphosphanium is sourced from PubChem (CID 21304178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).