ethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine)

C16H39N4O4P — CID 173078160

IUPACethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine)
SMILESCCN1CCN(C)C1C.CCN1CCN(C)C1C.CCOP(=O)(O)O
InChIInChI=1S/2C7H16N2.C2H7O4P/c2*1-4-9-6-5-8(3)7(9)2;1-2-6-7(3,4)5/h2*7H,4-6H2,1-3H3;2H2,1H3,(H2,3,4,5)
InChIKeyZNEHSQQEJJFLPA-UHFFFAOYSA-N
MW382.49 g/mol
LogP1.32
Rot. Bonds4

About ethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine)

ethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine) (PubChem CID 173078160) has the molecular formula C16H39N4O4P and a molecular weight of 382.49 g/mol. Its IUPAC name is ethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine).

Molecular Properties

Compound Nameethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine)
PubChem CID173078160
Molecular FormulaC16H39N4O4P
Molecular Weight382.49 g/mol
Exact Mass382.27
IUPAC Nameethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine)
SMILESCCN1CCN(C)C1C.CCN1CCN(C)C1C.CCOP(=O)(O)O
InChIInChI=1S/2C7H16N2.C2H7O4P/c2*1-4-9-6-5-8(3)7(9)2;1-2-6-7(3,4)5/h2*7H,4-6H2,1-3H3;2H2,1H3,(H2,3,4,5)
InChIKeyZNEHSQQEJJFLPA-UHFFFAOYSA-N
XLogP1.32
TPSA79.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine)?
The IUPAC name of ethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine) (CID 173078160) is ethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine).
What is the SMILES notation for ethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine)?
The canonical SMILES for ethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine) is CCN1CCN(C)C1C.CCN1CCN(C)C1C.CCOP(=O)(O)O.
What is the InChIKey of ethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine)?
The InChIKey is ZNEHSQQEJJFLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16N2.C2H7O4P/c2*1-4-9-6-5-8(3)7(9)2;1-2-6-7(3,4)5/h2*7H,4-6H2,1-3H3;2H2,1H3,(H2,3,4,5).
What are the key properties of ethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine)?
ethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine) has a molecular weight of 382.49 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl dihydrogen phosphate;bis(1-ethyl-2,3-dimethylimidazolidine) is sourced from PubChem (CID 173078160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).