[(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium

C10H18NO2+ — CID 7057361

IUPAC[(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium
SMILESC[NH2+]C[C@]12C=C[C@](C)(C[C@@H](O)C1)O2
InChIInChI=1S/C10H17NO2/c1-9-3-4-10(13-9,7-11-2)6-8(12)5-9/h3-4,8,11-12H,5-7H2,1-2H3/p+1/t8-,9-,10+/m1/s1
InChIKeyGYFKEMWJNPKAJW-BBBLOLIVSA-O
MW184.26 g/mol
LogP-0.58
Rot. Bonds2

About [(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium

[(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium (PubChem CID 7057361) has the molecular formula C10H18NO2+ and a molecular weight of 184.26 g/mol. Its IUPAC name is [(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium.

Molecular Properties

Compound Name[(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium
PubChem CID7057361
Molecular FormulaC10H18NO2+
Molecular Weight184.26 g/mol
Exact Mass184.13
IUPAC Name[(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium
SMILESC[NH2+]C[C@]12C=C[C@](C)(C[C@@H](O)C1)O2
InChIInChI=1S/C10H17NO2/c1-9-3-4-10(13-9,7-11-2)6-8(12)5-9/h3-4,8,11-12H,5-7H2,1-2H3/p+1/t8-,9-,10+/m1/s1
InChIKeyGYFKEMWJNPKAJW-BBBLOLIVSA-O
XLogP-0.58
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium with MolForge

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Related Compounds

[(1S,3R,5R)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium
CID 7057353
[(1R,3S,5S)-3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium
CID 7057357
(3-hydroxy-8-oxabicyclo[3.2.1]oct-6-en-1-yl)methyl-methylazanium;2-hydroxy-2-oxoacetate
CID 2755181
ethane;1,5,5,6-tetramethyl-7-oxabicyclo[4.1.0]heptan-3-ol
CID 145222521
3-(aminomethyl)-3-methylcyclobutan-1-ol
CID 115011071
4-ethyl-3,3-dimethylcyclohexan-1-ol
CID 58534383
3-methyl-3-propylcyclobutan-1-ol
CID 176695385
(1S,3S,5R)-1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 7057356
3,3,5,5-tetramethylcyclohexan-1-ol;dihydrochloride
CID 141116426
1-methyl-4-propan-2-yl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 85287732
(1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol
CID 130991446
1,2,2,6,6-pentamethylpiperidin-1-ium-4-ol
CID 6992729

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium?
The IUPAC name of [(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium (CID 7057361) is [(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium.
What is the SMILES notation for [(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium?
The canonical SMILES for [(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium is C[NH2+]C[C@]12C=C[C@](C)(C[C@@H](O)C1)O2.
What is the InChIKey of [(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium?
The InChIKey is GYFKEMWJNPKAJW-BBBLOLIVSA-O. The full InChI is InChI=1S/C10H17NO2/c1-9-3-4-10(13-9,7-11-2)6-8(12)5-9/h3-4,8,11-12H,5-7H2,1-2H3/p+1/t8-,9-,10+/m1/s1.
What are the key properties of [(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium?
[(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium has a molecular weight of 184.26 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R,5S)-3-hydroxy-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-1-yl]methyl-methylazanium is sourced from PubChem (CID 7057361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).