ethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium

C9H20NO2+ — CID 90087240

IUPACethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium
SMILESCC[N+](C)(C)CC1(O)CCCO1
InChIInChI=1S/C9H20NO2/c1-4-10(2,3)8-9(11)6-5-7-12-9/h11H,4-8H2,1-3H3/q+1
InChIKeyVQJNTXIOQIHNLO-UHFFFAOYSA-N
MW174.26 g/mol
LogP0.58
Rot. Bonds3

About ethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium

ethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium (PubChem CID 90087240) has the molecular formula C9H20NO2+ and a molecular weight of 174.26 g/mol. Its IUPAC name is ethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium.

Molecular Properties

Compound Nameethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium
PubChem CID90087240
Molecular FormulaC9H20NO2+
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Nameethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium
SMILESCC[N+](C)(C)CC1(O)CCCO1
InChIInChI=1S/C9H20NO2/c1-4-10(2,3)8-9(11)6-5-7-12-9/h11H,4-8H2,1-3H3/q+1
InChIKeyVQJNTXIOQIHNLO-UHFFFAOYSA-N
XLogP0.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
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 ethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium?
The IUPAC name of ethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium (CID 90087240) is ethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium.
What is the SMILES notation for ethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium?
The canonical SMILES for ethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium is CC[N+](C)(C)CC1(O)CCCO1.
What is the InChIKey of ethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium?
The InChIKey is VQJNTXIOQIHNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO2/c1-4-10(2,3)8-9(11)6-5-7-12-9/h11H,4-8H2,1-3H3/q+1.
What are the key properties of ethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium?
ethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium has a molecular weight of 174.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium is sourced from PubChem (CID 90087240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).