trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium

C8H18NO2+ — CID 20411

IUPACtrimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium
SMILESCC1OCC(C[N+](C)(C)C)O1
InChIInChI=1S/C8H18NO2/c1-7-10-6-8(11-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/q+1
InChIKeyCOSSAOQSSXDIQW-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.45
Rot. Bonds2

About trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium

trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium (PubChem CID 20411) has the molecular formula C8H18NO2+ and a molecular weight of 160.24 g/mol. Its IUPAC name is trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium
PubChem CID20411
Molecular FormulaC8H18NO2+
Molecular Weight160.24 g/mol
Exact Mass160.13
IUPAC Nametrimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium
SMILESCC1OCC(C[N+](C)(C)C)O1
InChIInChI=1S/C8H18NO2/c1-7-10-6-8(11-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/q+1
InChIKeyCOSSAOQSSXDIQW-UHFFFAOYSA-N
XLogP0.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.45
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 trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium?
The IUPAC name of trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium (CID 20411) is trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium.
What is the SMILES notation for trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium?
The canonical SMILES for trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium is CC1OCC(C[N+](C)(C)C)O1.
What is the InChIKey of trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium?
The InChIKey is COSSAOQSSXDIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2/c1-7-10-6-8(11-7)5-9(2,3)4/h7-8H,5-6H2,1-4H3/q+1.
What are the key properties of trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium?
trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium has a molecular weight of 160.24 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2-methyl-1,3-dioxolan-4-yl)methyl]azanium is sourced from PubChem (CID 20411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).