3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate

C11H22NO3P — CID 118091855

IUPAC3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate
SMILESC=CC[NH+](CC=C)CCCP(=O)([O-])OCC
InChIInChI=1S/C11H22NO3P/c1-4-8-12(9-5-2)10-7-11-16(13,14)15-6-3/h4-5H,1-2,6-11H2,3H3,(H,13,14)
InChIKeyQHOCPDRMFDUNNR-UHFFFAOYSA-N
MW247.27 g/mol
LogP0.22
Rot. Bonds10

About 3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate

3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate (PubChem CID 118091855) has the molecular formula C11H22NO3P and a molecular weight of 247.27 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate
PubChem CID118091855
Molecular FormulaC11H22NO3P
Molecular Weight247.27 g/mol
Exact Mass247.13
IUPAC Name3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate
SMILESC=CC[NH+](CC=C)CCCP(=O)([O-])OCC
InChIInChI=1S/C11H22NO3P/c1-4-8-12(9-5-2)10-7-11-16(13,14)15-6-3/h4-5H,1-2,6-11H2,3H3,(H,13,14)
InChIKeyQHOCPDRMFDUNNR-UHFFFAOYSA-N
XLogP0.22
TPSA53.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
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

ethoxy(undec-10-enyl)phosphinate
CID 71356470
ethoxy(prop-2-enyl)phosphinate
CID 71365133
sodium ethoxy(tridecyl)phosphinate
CID 90661205
3-[diethoxyphosphorylmethyl(prop-2-enyl)azaniumyl]propanoate
CID 2252002
sodium 2-cyanoethyl(ethoxy)phosphinate
CID 110190928
ethoxy(hept-6-enyl)phosphinic acid
CID 57098735
aluminum;triethyl phosphate;phosphate
CID 174993171
3-diethoxyphosphorylprop-1-ene
CID 573014
bis(2-ethoxyethyl)-prop-2-enylazanium chloride
CID 141168351
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
hexoxy(hexyl)phosphinate;iron(2+)
CID 87602875

Frequently Asked Questions

What is the IUPAC name of 3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate?
The IUPAC name of 3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate (CID 118091855) is 3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate.
What is the SMILES notation for 3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate?
The canonical SMILES for 3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate is C=CC[NH+](CC=C)CCCP(=O)([O-])OCC.
What is the InChIKey of 3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate?
The InChIKey is QHOCPDRMFDUNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO3P/c1-4-8-12(9-5-2)10-7-11-16(13,14)15-6-3/h4-5H,1-2,6-11H2,3H3,(H,13,14).
What are the key properties of 3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate?
3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate has a molecular weight of 247.27 g/mol, XLogP of 0.22, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)azaniumyl]propyl-ethoxyphosphinate is sourced from PubChem (CID 118091855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).