[(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide

C9H20INO2 — CID 11066550

IUPAC[(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
SMILESC[C@@H]1O[C@H](C[N+](C)(C)C)C[C@@H]1O.[I-]
InChIInChI=1S/C9H20NO2.HI/c1-7-9(11)5-8(12-7)6-10(2,3)4;/h7-9,11H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9-;/m0./s1
InChIKeyPMFYONXEPDMBPE-YWUTZLAHSA-M
MW301.17 g/mol
LogP-2.77
Rot. Bonds2

About [(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide

[(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide (PubChem CID 11066550) has the molecular formula C9H20INO2 and a molecular weight of 301.17 g/mol. Its IUPAC name is [(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide.

Molecular Properties

Compound Name[(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
PubChem CID11066550
Molecular FormulaC9H20INO2
Molecular Weight301.17 g/mol
Exact Mass301.05
IUPAC Name[(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide
SMILESC[C@@H]1O[C@H](C[N+](C)(C)C)C[C@@H]1O.[I-]
InChIInChI=1S/C9H20NO2.HI/c1-7-9(11)5-8(12-7)6-10(2,3)4;/h7-9,11H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9-;/m0./s1
InChIKeyPMFYONXEPDMBPE-YWUTZLAHSA-M
XLogP-2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 5-2.77
H-Bond Donors ≤ 51
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 [(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide?
The IUPAC name of [(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide (CID 11066550) is [(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide.
What is the SMILES notation for [(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide?
The canonical SMILES for [(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide is C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@@H]1O.[I-].
What is the InChIKey of [(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide?
The InChIKey is PMFYONXEPDMBPE-YWUTZLAHSA-M. The full InChI is InChI=1S/C9H20NO2.HI/c1-7-9(11)5-8(12-7)6-10(2,3)4;/h7-9,11H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9-;/m0./s1.
What are the key properties of [(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide?
[(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide has a molecular weight of 301.17 g/mol, XLogP of -2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide is sourced from PubChem (CID 11066550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).