(5-methoxy-5-oxopentyl)-trimethylazanium

C9H20NO2+ — CID 2778208

IUPAC(5-methoxy-5-oxopentyl)-trimethylazanium
SMILESCOC(=O)CCCC[N+](C)(C)C
InChIInChI=1S/C9H20NO2/c1-10(2,3)8-6-5-7-9(11)12-4/h5-8H2,1-4H3/q+1
InChIKeySGUYCQSBQYCCQY-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.04
Rot. Bonds5

About (5-methoxy-5-oxopentyl)-trimethylazanium

(5-methoxy-5-oxopentyl)-trimethylazanium (PubChem CID 2778208) has the molecular formula C9H20NO2+ and a molecular weight of 174.26 g/mol. Its IUPAC name is (5-methoxy-5-oxopentyl)-trimethylazanium.

Molecular Properties

Compound Name(5-methoxy-5-oxopentyl)-trimethylazanium
PubChem CID2778208
Molecular FormulaC9H20NO2+
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name(5-methoxy-5-oxopentyl)-trimethylazanium
SMILESCOC(=O)CCCC[N+](C)(C)C
InChIInChI=1S/C9H20NO2/c1-10(2,3)8-6-5-7-9(11)12-4/h5-8H2,1-4H3/q+1
InChIKeySGUYCQSBQYCCQY-UHFFFAOYSA-N
XLogP1.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-5-oxopentyl)-trimethylazanium?
The IUPAC name of (5-methoxy-5-oxopentyl)-trimethylazanium (CID 2778208) is (5-methoxy-5-oxopentyl)-trimethylazanium.
What is the SMILES notation for (5-methoxy-5-oxopentyl)-trimethylazanium?
The canonical SMILES for (5-methoxy-5-oxopentyl)-trimethylazanium is COC(=O)CCCC[N+](C)(C)C.
What is the InChIKey of (5-methoxy-5-oxopentyl)-trimethylazanium?
The InChIKey is SGUYCQSBQYCCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO2/c1-10(2,3)8-6-5-7-9(11)12-4/h5-8H2,1-4H3/q+1.
What are the key properties of (5-methoxy-5-oxopentyl)-trimethylazanium?
(5-methoxy-5-oxopentyl)-trimethylazanium has a molecular weight of 174.26 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-5-oxopentyl)-trimethylazanium is sourced from PubChem (CID 2778208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).