[(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium

C20H26NO2+ — CID 45266333

IUPAC[(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium
SMILESC[C@@H](C1COC(c2ccccc2)(c2ccccc2)O1)[N+](C)(C)C
InChIInChI=1S/C20H26NO2/c1-16(21(2,3)4)19-15-22-20(23-19,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,15H2,1-4H3/q+1/t16-,19?/m0/s1
InChIKeyWTEHQRIXJACFHE-UCFFOFKASA-N
MW312.43 g/mol
LogP3.40
Rot. Bonds4

About [(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium

[(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium (PubChem CID 45266333) has the molecular formula C20H26NO2+ and a molecular weight of 312.43 g/mol. Its IUPAC name is [(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium.

Molecular Properties

Compound Name[(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium
PubChem CID45266333
Molecular FormulaC20H26NO2+
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC Name[(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium
SMILESC[C@@H](C1COC(c2ccccc2)(c2ccccc2)O1)[N+](C)(C)C
InChIInChI=1S/C20H26NO2/c1-16(21(2,3)4)19-15-22-20(23-19,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,15H2,1-4H3/q+1/t16-,19?/m0/s1
InChIKeyWTEHQRIXJACFHE-UCFFOFKASA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium?
The IUPAC name of [(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium (CID 45266333) is [(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium.
What is the SMILES notation for [(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium?
The canonical SMILES for [(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium is C[C@@H](C1COC(c2ccccc2)(c2ccccc2)O1)[N+](C)(C)C.
What is the InChIKey of [(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium?
The InChIKey is WTEHQRIXJACFHE-UCFFOFKASA-N. The full InChI is InChI=1S/C20H26NO2/c1-16(21(2,3)4)19-15-22-20(23-19,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19H,15H2,1-4H3/q+1/t16-,19?/m0/s1.
What are the key properties of [(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium?
[(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium has a molecular weight of 312.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2,2-diphenyl-1,3-dioxolan-4-yl)ethyl]-trimethylazanium is sourced from PubChem (CID 45266333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).