(2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium

C9H20NO2+ — CID 142050616

IUPAC(2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium
SMILESCC1CCC([N+](C)(C)O)C(C)O1
InChIInChI=1S/C9H20NO2/c1-7-5-6-9(8(2)12-7)10(3,4)11/h7-9,11H,5-6H2,1-4H3/q+1
InChIKeyPCMIEBQLLCNTPY-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.41
Rot. Bonds1

About (2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium

(2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium (PubChem CID 142050616) has the molecular formula C9H20NO2+ and a molecular weight of 174.26 g/mol. Its IUPAC name is (2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium.

Molecular Properties

Compound Name(2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium
PubChem CID142050616
Molecular FormulaC9H20NO2+
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name(2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium
SMILESCC1CCC([N+](C)(C)O)C(C)O1
InChIInChI=1S/C9H20NO2/c1-7-5-6-9(8(2)12-7)10(3,4)11/h7-9,11H,5-6H2,1-4H3/q+1
InChIKeyPCMIEBQLLCNTPY-UHFFFAOYSA-N
XLogP1.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium?
The IUPAC name of (2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium (CID 142050616) is (2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium.
What is the SMILES notation for (2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium?
The canonical SMILES for (2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium is CC1CCC([N+](C)(C)O)C(C)O1.
What is the InChIKey of (2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium?
The InChIKey is PCMIEBQLLCNTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO2/c1-7-5-6-9(8(2)12-7)10(3,4)11/h7-9,11H,5-6H2,1-4H3/q+1.
What are the key properties of (2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium?
(2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium has a molecular weight of 174.26 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyloxan-3-yl)-hydroxy-dimethylazanium is sourced from PubChem (CID 142050616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).