2-(4-methoxybutoxymethyl)-2-methyloxetane

C10H20O3 — CID 58383014

IUPAC2-(4-methoxybutoxymethyl)-2-methyloxetane
SMILESCOCCCCOCC1(C)CCO1
InChIInChI=1S/C10H20O3/c1-10(5-8-13-10)9-12-7-4-3-6-11-2/h3-9H2,1-2H3
InChIKeyUFFAKSVDXLBHSX-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.61
Rot. Bonds7

About 2-(4-methoxybutoxymethyl)-2-methyloxetane

2-(4-methoxybutoxymethyl)-2-methyloxetane (PubChem CID 58383014) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(4-methoxybutoxymethyl)-2-methyloxetane.

Molecular Properties

Compound Name2-(4-methoxybutoxymethyl)-2-methyloxetane
PubChem CID58383014
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-(4-methoxybutoxymethyl)-2-methyloxetane
SMILESCOCCCCOCC1(C)CCO1
InChIInChI=1S/C10H20O3/c1-10(5-8-13-10)9-12-7-4-3-6-11-2/h3-9H2,1-2H3
InChIKeyUFFAKSVDXLBHSX-UHFFFAOYSA-N
XLogP1.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutoxymethyl)-2-methyloxetane?
The IUPAC name of 2-(4-methoxybutoxymethyl)-2-methyloxetane (CID 58383014) is 2-(4-methoxybutoxymethyl)-2-methyloxetane.
What is the SMILES notation for 2-(4-methoxybutoxymethyl)-2-methyloxetane?
The canonical SMILES for 2-(4-methoxybutoxymethyl)-2-methyloxetane is COCCCCOCC1(C)CCO1.
What is the InChIKey of 2-(4-methoxybutoxymethyl)-2-methyloxetane?
The InChIKey is UFFAKSVDXLBHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-10(5-8-13-10)9-12-7-4-3-6-11-2/h3-9H2,1-2H3.
What are the key properties of 2-(4-methoxybutoxymethyl)-2-methyloxetane?
2-(4-methoxybutoxymethyl)-2-methyloxetane has a molecular weight of 188.27 g/mol, XLogP of 1.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutoxymethyl)-2-methyloxetane is sourced from PubChem (CID 58383014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).