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

C8H18INO2 — CID 657346

IUPACtrimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide
SMILESC[C@H]1OC[C@@H](C[N+](C)(C)C)O1.[I-]
InChIInChI=1S/C8H18NO2.HI/c1-7-10-6-8(11-7)5-9(2,3)4;/h7-8H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8+;/m0./s1
InChIKeyXFHBFOSBGWDTRO-KZYPOYLOSA-M
MW287.14 g/mol
LogP-2.54
Rot. Bonds2

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

trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide (PubChem CID 657346) has the molecular formula C8H18INO2 and a molecular weight of 287.14 g/mol. Its IUPAC name is trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide
PubChem CID657346
Molecular FormulaC8H18INO2
Molecular Weight287.14 g/mol
Exact Mass287.04
IUPAC Nametrimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide
SMILESC[C@H]1OC[C@@H](C[N+](C)(C)C)O1.[I-]
InChIInChI=1S/C8H18NO2.HI/c1-7-10-6-8(11-7)5-9(2,3)4;/h7-8H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8+;/m0./s1
InChIKeyXFHBFOSBGWDTRO-KZYPOYLOSA-M
XLogP-2.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 5-2.54
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'}

Analyze trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide?
The IUPAC name of trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide (CID 657346) is trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide.
What is the SMILES notation for trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide?
The canonical SMILES for trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide is C[C@H]1OC[C@@H](C[N+](C)(C)C)O1.[I-].
What is the InChIKey of trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide?
The InChIKey is XFHBFOSBGWDTRO-KZYPOYLOSA-M. The full InChI is InChI=1S/C8H18NO2.HI/c1-7-10-6-8(11-7)5-9(2,3)4;/h7-8H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8+;/m0./s1.
What are the key properties of trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide?
trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide has a molecular weight of 287.14 g/mol, XLogP of -2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(2S,4R)-2-methyl-1,3-dioxolan-4-yl]methyl]azanium iodide is sourced from PubChem (CID 657346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).