1,3-dioxan-2-ylmethyl(trimethyl)azanium

C8H18NO2+ — CID 14913725

IUPAC1,3-dioxan-2-ylmethyl(trimethyl)azanium
SMILESC[N+](C)(C)CC1OCCCO1
InChIInChI=1S/C8H18NO2/c1-9(2,3)7-8-10-5-4-6-11-8/h8H,4-7H2,1-3H3/q+1
InChIKeyLMIXMLQCWUANSR-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.46
Rot. Bonds2

About 1,3-dioxan-2-ylmethyl(trimethyl)azanium

1,3-dioxan-2-ylmethyl(trimethyl)azanium (PubChem CID 14913725) has the molecular formula C8H18NO2+ and a molecular weight of 160.24 g/mol. Its IUPAC name is 1,3-dioxan-2-ylmethyl(trimethyl)azanium.

Molecular Properties

Compound Name1,3-dioxan-2-ylmethyl(trimethyl)azanium
PubChem CID14913725
Molecular FormulaC8H18NO2+
Molecular Weight160.24 g/mol
Exact Mass160.13
IUPAC Name1,3-dioxan-2-ylmethyl(trimethyl)azanium
SMILESC[N+](C)(C)CC1OCCCO1
InChIInChI=1S/C8H18NO2/c1-9(2,3)7-8-10-5-4-6-11-8/h8H,4-7H2,1-3H3/q+1
InChIKeyLMIXMLQCWUANSR-UHFFFAOYSA-N
XLogP0.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxan-2-ylmethyl(trimethyl)azanium?
The IUPAC name of 1,3-dioxan-2-ylmethyl(trimethyl)azanium (CID 14913725) is 1,3-dioxan-2-ylmethyl(trimethyl)azanium.
What is the SMILES notation for 1,3-dioxan-2-ylmethyl(trimethyl)azanium?
The canonical SMILES for 1,3-dioxan-2-ylmethyl(trimethyl)azanium is C[N+](C)(C)CC1OCCCO1.
What is the InChIKey of 1,3-dioxan-2-ylmethyl(trimethyl)azanium?
The InChIKey is LMIXMLQCWUANSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2/c1-9(2,3)7-8-10-5-4-6-11-8/h8H,4-7H2,1-3H3/q+1.
What are the key properties of 1,3-dioxan-2-ylmethyl(trimethyl)azanium?
1,3-dioxan-2-ylmethyl(trimethyl)azanium has a molecular weight of 160.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxan-2-ylmethyl(trimethyl)azanium is sourced from PubChem (CID 14913725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).