[(3R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-dimethylazanium chloride

C10H18ClNO2 — CID 2755185

IUPAC[(3R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-dimethylazanium chloride
SMILESC[NH+](C)CC12C=CC(C[C@@H](O)C1)O2.[Cl-]
InChIInChI=1S/C10H17NO2.ClH/c1-11(2)7-10-4-3-9(13-10)5-8(12)6-10;/h3-4,8-9,12H,5-7H2,1-2H3;1H/t8-,9?,10?;/m1./s1
InChIKeyWNXUJAOGCCHZBB-PCGKGCSSSA-N
MW219.71 g/mol
LogP-4.02
Rot. Bonds2

About [(3R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-dimethylazanium chloride

[(3R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-dimethylazanium chloride (PubChem CID 2755185) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is [(3R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-dimethylazanium chloride.

Molecular Properties

Compound Name[(3R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-dimethylazanium chloride
PubChem CID2755185
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name[(3R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-dimethylazanium chloride
SMILESC[NH+](C)CC12C=CC(C[C@@H](O)C1)O2.[Cl-]
InChIInChI=1S/C10H17NO2.ClH/c1-11(2)7-10-4-3-9(13-10)5-8(12)6-10;/h3-4,8-9,12H,5-7H2,1-2H3;1H/t8-,9?,10?;/m1./s1
InChIKeyWNXUJAOGCCHZBB-PCGKGCSSSA-N
XLogP-4.02
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 5-4.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-dimethylazanium chloride?
The IUPAC name of [(3R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-dimethylazanium chloride (CID 2755185) is [(3R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-dimethylazanium chloride.
What is the SMILES notation for [(3R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-dimethylazanium chloride?
The canonical SMILES for [(3R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-dimethylazanium chloride is C[NH+](C)CC12C=CC(C[C@@H](O)C1)O2.[Cl-].
What is the InChIKey of [(3R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-dimethylazanium chloride?
The InChIKey is WNXUJAOGCCHZBB-PCGKGCSSSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c1-11(2)7-10-4-3-9(13-10)5-8(12)6-10;/h3-4,8-9,12H,5-7H2,1-2H3;1H/t8-,9?,10?;/m1./s1.
What are the key properties of [(3R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-dimethylazanium chloride?
[(3R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-dimethylazanium chloride has a molecular weight of 219.71 g/mol, XLogP of -4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-dimethylazanium chloride is sourced from PubChem (CID 2755185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).