[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide

C19H24INO2 — CID 70681879

IUPAC[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide
SMILESC[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)O1.[I-]
InChIInChI=1S/C19H24NO2.HI/c1-20(2,3)14-18-15-21-19(22-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18H,14-15H2,1-3H3;1H/q+1;/p-1/t18-;/m1./s1
InChIKeyWTMWKFHJJKIULW-GMUIIQOCSA-M
MW425.31 g/mol
LogP0.01
Rot. Bonds4

About [(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide

[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide (PubChem CID 70681879) has the molecular formula C19H24INO2 and a molecular weight of 425.31 g/mol. Its IUPAC name is [(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide.

Molecular Properties

Compound Name[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide
PubChem CID70681879
Molecular FormulaC19H24INO2
Molecular Weight425.31 g/mol
Exact Mass425.09
IUPAC Name[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide
SMILESC[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)O1.[I-]
InChIInChI=1S/C19H24NO2.HI/c1-20(2,3)14-18-15-21-19(22-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18H,14-15H2,1-3H3;1H/q+1;/p-1/t18-;/m1./s1
InChIKeyWTMWKFHJJKIULW-GMUIIQOCSA-M
XLogP0.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide?
The IUPAC name of [(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide (CID 70681879) is [(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide.
What is the SMILES notation for [(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide?
The canonical SMILES for [(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide is C[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)O1.[I-].
What is the InChIKey of [(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide?
The InChIKey is WTMWKFHJJKIULW-GMUIIQOCSA-M. The full InChI is InChI=1S/C19H24NO2.HI/c1-20(2,3)14-18-15-21-19(22-18,16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,18H,14-15H2,1-3H3;1H/q+1;/p-1/t18-;/m1./s1.
What are the key properties of [(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide?
[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide has a molecular weight of 425.31 g/mol, XLogP of 0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]methyl-trimethylazanium iodide is sourced from PubChem (CID 70681879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).