ethyl dihydrogen phosphate;bis(1,2,3,4-tetramethylimidazolidine)

C16H39N4O4P — CID 173078108

IUPACethyl dihydrogen phosphate;bis(1,2,3,4-tetramethylimidazolidine)
SMILESCC1CN(C)C(C)N1C.CC1CN(C)C(C)N1C.CCOP(=O)(O)O
InChIInChI=1S/2C7H16N2.C2H7O4P/c2*1-6-5-8(3)7(2)9(6)4;1-2-6-7(3,4)5/h2*6-7H,5H2,1-4H3;2H2,1H3,(H2,3,4,5)
InChIKeyOPNZJZJRVBQFNV-UHFFFAOYSA-N
MW382.49 g/mol
LogP1.31
Rot. Bonds2

About ethyl dihydrogen phosphate;bis(1,2,3,4-tetramethylimidazolidine)

ethyl dihydrogen phosphate;bis(1,2,3,4-tetramethylimidazolidine) (PubChem CID 173078108) has the molecular formula C16H39N4O4P and a molecular weight of 382.49 g/mol. Its IUPAC name is ethyl dihydrogen phosphate;bis(1,2,3,4-tetramethylimidazolidine).

Molecular Properties

Compound Nameethyl dihydrogen phosphate;bis(1,2,3,4-tetramethylimidazolidine)
PubChem CID173078108
Molecular FormulaC16H39N4O4P
Molecular Weight382.49 g/mol
Exact Mass382.27
IUPAC Nameethyl dihydrogen phosphate;bis(1,2,3,4-tetramethylimidazolidine)
SMILESCC1CN(C)C(C)N1C.CC1CN(C)C(C)N1C.CCOP(=O)(O)O
InChIInChI=1S/2C7H16N2.C2H7O4P/c2*1-6-5-8(3)7(2)9(6)4;1-2-6-7(3,4)5/h2*6-7H,5H2,1-4H3;2H2,1H3,(H2,3,4,5)
InChIKeyOPNZJZJRVBQFNV-UHFFFAOYSA-N
XLogP1.31
TPSA79.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 51.31
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(1,2,3,4-tetramethylimidazolidine)?
The IUPAC name of ethyl dihydrogen phosphate;bis(1,2,3,4-tetramethylimidazolidine) (CID 173078108) is ethyl dihydrogen phosphate;bis(1,2,3,4-tetramethylimidazolidine).
What is the SMILES notation for ethyl dihydrogen phosphate;bis(1,2,3,4-tetramethylimidazolidine)?
The canonical SMILES for ethyl dihydrogen phosphate;bis(1,2,3,4-tetramethylimidazolidine) is CC1CN(C)C(C)N1C.CC1CN(C)C(C)N1C.CCOP(=O)(O)O.
What is the InChIKey of ethyl dihydrogen phosphate;bis(1,2,3,4-tetramethylimidazolidine)?
The InChIKey is OPNZJZJRVBQFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16N2.C2H7O4P/c2*1-6-5-8(3)7(2)9(6)4;1-2-6-7(3,4)5/h2*6-7H,5H2,1-4H3;2H2,1H3,(H2,3,4,5).
What are the key properties of ethyl dihydrogen phosphate;bis(1,2,3,4-tetramethylimidazolidine)?
ethyl dihydrogen phosphate;bis(1,2,3,4-tetramethylimidazolidine) has a molecular weight of 382.49 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl dihydrogen phosphate;bis(1,2,3,4-tetramethylimidazolidine) is sourced from PubChem (CID 173078108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).