3-(butan-2-yloxymethyl)-3-ethyloxetane

C10H20O2 — CID 70658510

IUPAC3-(butan-2-yloxymethyl)-3-ethyloxetane
SMILESCCC(C)OCC1(CC)COC1
InChIInChI=1S/C10H20O2/c1-4-9(3)12-8-10(5-2)6-11-7-10/h9H,4-8H2,1-3H3
InChIKeyXXUAJELLBJNUCJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds5

About 3-(butan-2-yloxymethyl)-3-ethyloxetane

3-(butan-2-yloxymethyl)-3-ethyloxetane (PubChem CID 70658510) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(butan-2-yloxymethyl)-3-ethyloxetane.

Molecular Properties

Compound Name3-(butan-2-yloxymethyl)-3-ethyloxetane
PubChem CID70658510
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-(butan-2-yloxymethyl)-3-ethyloxetane
SMILESCCC(C)OCC1(CC)COC1
InChIInChI=1S/C10H20O2/c1-4-9(3)12-8-10(5-2)6-11-7-10/h9H,4-8H2,1-3H3
InChIKeyXXUAJELLBJNUCJ-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-yloxymethyl)-3-ethyloxetane?
The IUPAC name of 3-(butan-2-yloxymethyl)-3-ethyloxetane (CID 70658510) is 3-(butan-2-yloxymethyl)-3-ethyloxetane.
What is the SMILES notation for 3-(butan-2-yloxymethyl)-3-ethyloxetane?
The canonical SMILES for 3-(butan-2-yloxymethyl)-3-ethyloxetane is CCC(C)OCC1(CC)COC1.
What is the InChIKey of 3-(butan-2-yloxymethyl)-3-ethyloxetane?
The InChIKey is XXUAJELLBJNUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-9(3)12-8-10(5-2)6-11-7-10/h9H,4-8H2,1-3H3.
What are the key properties of 3-(butan-2-yloxymethyl)-3-ethyloxetane?
3-(butan-2-yloxymethyl)-3-ethyloxetane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-yloxymethyl)-3-ethyloxetane is sourced from PubChem (CID 70658510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).