dipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium

C13H29N2O4P — CID 67521741

IUPACdipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium
SMILESCC(C)OP(=O)([O-])OC(C)C.CC1=[N+](C)CC(C)N1C
InChIInChI=1S/C7H15N2.C6H15O4P/c1-6-5-8(3)7(2)9(6)4;1-5(2)9-11(7,8)10-6(3)4/h6H,5H2,1-4H3;5-6H,1-4H3,(H,7,8)/q+1;/p-1
InChIKeyADYQBBIFKUVFDX-UHFFFAOYSA-M
MW308.36 g/mol
LogP1.69
Rot. Bonds4

About dipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium

dipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium (PubChem CID 67521741) has the molecular formula C13H29N2O4P and a molecular weight of 308.36 g/mol. Its IUPAC name is dipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Namedipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium
PubChem CID67521741
Molecular FormulaC13H29N2O4P
Molecular Weight308.36 g/mol
Exact Mass308.19
IUPAC Namedipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium
SMILESCC(C)OP(=O)([O-])OC(C)C.CC1=[N+](C)CC(C)N1C
InChIInChI=1S/C7H15N2.C6H15O4P/c1-6-5-8(3)7(2)9(6)4;1-5(2)9-11(7,8)10-6(3)4/h6H,5H2,1-4H3;5-6H,1-4H3,(H,7,8)/q+1;/p-1
InChIKeyADYQBBIFKUVFDX-UHFFFAOYSA-M
XLogP1.69
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium?
The IUPAC name of dipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium (CID 67521741) is dipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for dipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium?
The canonical SMILES for dipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium is CC(C)OP(=O)([O-])OC(C)C.CC1=[N+](C)CC(C)N1C.
What is the InChIKey of dipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium?
The InChIKey is ADYQBBIFKUVFDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15N2.C6H15O4P/c1-6-5-8(3)7(2)9(6)4;1-5(2)9-11(7,8)10-6(3)4/h6H,5H2,1-4H3;5-6H,1-4H3,(H,7,8)/q+1;/p-1.
What are the key properties of dipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium?
dipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium has a molecular weight of 308.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl phosphate;1,2,3,4-tetramethyl-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 67521741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).