[(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate

C9H19NO4P- — CID 171377947

IUPAC[(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate
SMILESCCOP(=O)([O-])O/C=C/CN(CC)CC
InChIInChI=1S/C9H20NO4P/c1-4-10(5-2)8-7-9-14-15(11,12)13-6-3/h7,9H,4-6,8H2,1-3H3,(H,11,12)/p-1/b9-7+
InChIKeyKWCWVIHXKODVOS-VQHVLOKHSA-M
MW236.23 g/mol
LogP1.36
Rot. Bonds8

About [(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate

[(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate (PubChem CID 171377947) has the molecular formula C9H19NO4P- and a molecular weight of 236.23 g/mol. Its IUPAC name is [(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate.

Molecular Properties

Compound Name[(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate
PubChem CID171377947
Molecular FormulaC9H19NO4P-
Molecular Weight236.23 g/mol
Exact Mass236.11
IUPAC Name[(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate
SMILESCCOP(=O)([O-])O/C=C/CN(CC)CC
InChIInChI=1S/C9H20NO4P/c1-4-10(5-2)8-7-9-14-15(11,12)13-6-3/h7,9H,4-6,8H2,1-3H3,(H,11,12)/p-1/b9-7+
InChIKeyKWCWVIHXKODVOS-VQHVLOKHSA-M
XLogP1.36
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

disodium bis(diethyl phosphate)
CID 57370561
copper bis(diethyl phosphate)
CID 23448356
[(E)-but-1-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 11673127
sodium ethyl methyl phosphate
CID 134607083
ethyl hydroxymethyl phosphate
CID 153073426
tetrasodium ethyl phosphate
CID 141178132
disodium;ethyl phosphate
CID 11970393
(Z)-N,N-diethylpent-2-en-1-amine
CID 5365213
barium(2+);ethyl phosphate
CID 12691393
aluminum [(E)-3-ethoxyprop-1-enyl] phosphate
CID 20550510
N,N-diethylpenta-2,4-dien-1-amine
CID 73447905
(E)-4-(diethylamino)but-2-enal
CID 143545014

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate?
The IUPAC name of [(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate (CID 171377947) is [(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate.
What is the SMILES notation for [(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate?
The canonical SMILES for [(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate is CCOP(=O)([O-])O/C=C/CN(CC)CC.
What is the InChIKey of [(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate?
The InChIKey is KWCWVIHXKODVOS-VQHVLOKHSA-M. The full InChI is InChI=1S/C9H20NO4P/c1-4-10(5-2)8-7-9-14-15(11,12)13-6-3/h7,9H,4-6,8H2,1-3H3,(H,11,12)/p-1/b9-7+.
What are the key properties of [(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate?
[(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate has a molecular weight of 236.23 g/mol, XLogP of 1.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(diethylamino)prop-1-enyl] ethyl phosphate is sourced from PubChem (CID 171377947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).