3-ethyl-3-(methoxymethyl)-2-propyloxetane

C10H20O2 — CID 155117177

IUPAC3-ethyl-3-(methoxymethyl)-2-propyloxetane
SMILESCCCC1OCC1(CC)COC
InChIInChI=1S/C10H20O2/c1-4-6-9-10(5-2,7-11-3)8-12-9/h9H,4-8H2,1-3H3
InChIKeyVDIZRMXNBOUJDV-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds5

About 3-ethyl-3-(methoxymethyl)-2-propyloxetane

3-ethyl-3-(methoxymethyl)-2-propyloxetane (PubChem CID 155117177) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-ethyl-3-(methoxymethyl)-2-propyloxetane.

Molecular Properties

Compound Name3-ethyl-3-(methoxymethyl)-2-propyloxetane
PubChem CID155117177
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-ethyl-3-(methoxymethyl)-2-propyloxetane
SMILESCCCC1OCC1(CC)COC
InChIInChI=1S/C10H20O2/c1-4-6-9-10(5-2,7-11-3)8-12-9/h9H,4-8H2,1-3H3
InChIKeyVDIZRMXNBOUJDV-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-ethyl-3-(methoxymethyl)-2-propyloxetane?
The IUPAC name of 3-ethyl-3-(methoxymethyl)-2-propyloxetane (CID 155117177) is 3-ethyl-3-(methoxymethyl)-2-propyloxetane.
What is the SMILES notation for 3-ethyl-3-(methoxymethyl)-2-propyloxetane?
The canonical SMILES for 3-ethyl-3-(methoxymethyl)-2-propyloxetane is CCCC1OCC1(CC)COC.
What is the InChIKey of 3-ethyl-3-(methoxymethyl)-2-propyloxetane?
The InChIKey is VDIZRMXNBOUJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-6-9-10(5-2,7-11-3)8-12-9/h9H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-3-(methoxymethyl)-2-propyloxetane?
3-ethyl-3-(methoxymethyl)-2-propyloxetane 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-ethyl-3-(methoxymethyl)-2-propyloxetane is sourced from PubChem (CID 155117177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).