3-ethyl-3-(2-methoxypropyl)oxetane

C9H18O2 — CID 89016431

IUPAC3-ethyl-3-(2-methoxypropyl)oxetane
SMILESCCC1(CC(C)OC)COC1
InChIInChI=1S/C9H18O2/c1-4-9(6-11-7-9)5-8(2)10-3/h8H,4-7H2,1-3H3
InChIKeyMMLNBDRDGHBENF-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.84
Rot. Bonds4

About 3-ethyl-3-(2-methoxypropyl)oxetane

3-ethyl-3-(2-methoxypropyl)oxetane (PubChem CID 89016431) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-ethyl-3-(2-methoxypropyl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(2-methoxypropyl)oxetane
PubChem CID89016431
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name3-ethyl-3-(2-methoxypropyl)oxetane
SMILESCCC1(CC(C)OC)COC1
InChIInChI=1S/C9H18O2/c1-4-9(6-11-7-9)5-8(2)10-3/h8H,4-7H2,1-3H3
InChIKeyMMLNBDRDGHBENF-UHFFFAOYSA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-methoxypropyl)oxetane?
The IUPAC name of 3-ethyl-3-(2-methoxypropyl)oxetane (CID 89016431) is 3-ethyl-3-(2-methoxypropyl)oxetane.
What is the SMILES notation for 3-ethyl-3-(2-methoxypropyl)oxetane?
The canonical SMILES for 3-ethyl-3-(2-methoxypropyl)oxetane is CCC1(CC(C)OC)COC1.
What is the InChIKey of 3-ethyl-3-(2-methoxypropyl)oxetane?
The InChIKey is MMLNBDRDGHBENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-9(6-11-7-9)5-8(2)10-3/h8H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-3-(2-methoxypropyl)oxetane?
3-ethyl-3-(2-methoxypropyl)oxetane has a molecular weight of 158.24 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-methoxypropyl)oxetane is sourced from PubChem (CID 89016431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).