3-(butoxymethyl)-3-ethyloxetane

C10H20O2 — CID 22673202

IUPAC3-(butoxymethyl)-3-ethyloxetane
SMILESCCCCOCC1(CC)COC1
InChIInChI=1S/C10H20O2/c1-3-5-6-11-7-10(4-2)8-12-9-10/h3-9H2,1-2H3
InChIKeyROBHKRKCPJESJQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds6

About 3-(butoxymethyl)-3-ethyloxetane

3-(butoxymethyl)-3-ethyloxetane (PubChem CID 22673202) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(butoxymethyl)-3-ethyloxetane.

Molecular Properties

Compound Name3-(butoxymethyl)-3-ethyloxetane
PubChem CID22673202
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-(butoxymethyl)-3-ethyloxetane
SMILESCCCCOCC1(CC)COC1
InChIInChI=1S/C10H20O2/c1-3-5-6-11-7-10(4-2)8-12-9-10/h3-9H2,1-2H3
InChIKeyROBHKRKCPJESJQ-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(butoxymethyl)-3-ethyloxetane?
The IUPAC name of 3-(butoxymethyl)-3-ethyloxetane (CID 22673202) is 3-(butoxymethyl)-3-ethyloxetane.
What is the SMILES notation for 3-(butoxymethyl)-3-ethyloxetane?
The canonical SMILES for 3-(butoxymethyl)-3-ethyloxetane is CCCCOCC1(CC)COC1.
What is the InChIKey of 3-(butoxymethyl)-3-ethyloxetane?
The InChIKey is ROBHKRKCPJESJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-6-11-7-10(4-2)8-12-9-10/h3-9H2,1-2H3.
What are the key properties of 3-(butoxymethyl)-3-ethyloxetane?
3-(butoxymethyl)-3-ethyloxetane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butoxymethyl)-3-ethyloxetane is sourced from PubChem (CID 22673202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).