but-3-enyl-(2-ethylhexoxy)-oxophosphanium

C12H24O2P+ — CID 88759680

IUPACbut-3-enyl-(2-ethylhexoxy)-oxophosphanium
SMILESC=CCC[P+](=O)OCC(CC)CCCC
InChIInChI=1S/C12H24O2P/c1-4-7-9-12(6-3)11-14-15(13)10-8-5-2/h5,12H,2,4,6-11H2,1,3H3/q+1
InChIKeyMFNDXQVUZICYNN-UHFFFAOYSA-N
MW231.30 g/mol
LogP4.54
Rot. Bonds10

About but-3-enyl-(2-ethylhexoxy)-oxophosphanium

but-3-enyl-(2-ethylhexoxy)-oxophosphanium (PubChem CID 88759680) has the molecular formula C12H24O2P+ and a molecular weight of 231.30 g/mol. Its IUPAC name is but-3-enyl-(2-ethylhexoxy)-oxophosphanium.

Molecular Properties

Compound Namebut-3-enyl-(2-ethylhexoxy)-oxophosphanium
PubChem CID88759680
Molecular FormulaC12H24O2P+
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Namebut-3-enyl-(2-ethylhexoxy)-oxophosphanium
SMILESC=CCC[P+](=O)OCC(CC)CCCC
InChIInChI=1S/C12H24O2P/c1-4-7-9-12(6-3)11-14-15(13)10-8-5-2/h5,12H,2,4,6-11H2,1,3H3/q+1
InChIKeyMFNDXQVUZICYNN-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethyl (E)-(2-cyclohexylvinyl)phosphonate
CID 14493786
(E)-1-diethoxyphosphoryl-3-methyloct-1-ene
CID 134895029
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
1-(2-Ethylhexoxy)-2,3-dihydro-1lambda5-phosphole 1-oxide
CID 21427403
3-[[Methyl(prop-2-enyl)phosphoryl]oxymethyl]heptane
CID 53773568
1-[6-Methylhept-1-enyl(octoxy)phosphoryl]oxyoctane
CID 54158121
Ethenyl(2-ethylhexoxy)phosphinic acid
CID 54221807
3-[[2-Ethylhexoxy(prop-2-enyl)phosphoryl]oxymethyl]heptane
CID 54362211
1-(2-Ethylhexoxy)-1lambda5-phosphole 1-oxide
CID 54449693
But-3-enyl-hexoxy-oxophosphanium
CID 57123904

Frequently Asked Questions

What is the IUPAC name of but-3-enyl-(2-ethylhexoxy)-oxophosphanium?
The IUPAC name of but-3-enyl-(2-ethylhexoxy)-oxophosphanium (CID 88759680) is but-3-enyl-(2-ethylhexoxy)-oxophosphanium.
What is the SMILES notation for but-3-enyl-(2-ethylhexoxy)-oxophosphanium?
The canonical SMILES for but-3-enyl-(2-ethylhexoxy)-oxophosphanium is C=CCC[P+](=O)OCC(CC)CCCC.
What is the InChIKey of but-3-enyl-(2-ethylhexoxy)-oxophosphanium?
The InChIKey is MFNDXQVUZICYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2P/c1-4-7-9-12(6-3)11-14-15(13)10-8-5-2/h5,12H,2,4,6-11H2,1,3H3/q+1.
What are the key properties of but-3-enyl-(2-ethylhexoxy)-oxophosphanium?
but-3-enyl-(2-ethylhexoxy)-oxophosphanium has a molecular weight of 231.30 g/mol, XLogP of 4.54, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-(2-ethylhexoxy)-oxophosphanium is sourced from PubChem (CID 88759680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).