3-ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane

C12H22O3 — CID 68649136

IUPAC3-ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane
SMILESCCC1COC1COCC1(CC)COC1
InChIInChI=1S/C12H22O3/c1-3-10-5-15-11(10)6-13-7-12(4-2)8-14-9-12/h10-11H,3-9H2,1-2H3
InChIKeyKSPBURUFGMGNHC-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.85
Rot. Bonds6

About 3-ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane

3-ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane (PubChem CID 68649136) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 3-ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane
PubChem CID68649136
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name3-ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane
SMILESCCC1COC1COCC1(CC)COC1
InChIInChI=1S/C12H22O3/c1-3-10-5-15-11(10)6-13-7-12(4-2)8-14-9-12/h10-11H,3-9H2,1-2H3
InChIKeyKSPBURUFGMGNHC-UHFFFAOYSA-N
XLogP1.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane?
The IUPAC name of 3-ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane (CID 68649136) is 3-ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane?
The canonical SMILES for 3-ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane is CCC1COC1COCC1(CC)COC1.
What is the InChIKey of 3-ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane?
The InChIKey is KSPBURUFGMGNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-10-5-15-11(10)6-13-7-12(4-2)8-14-9-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane?
3-ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane has a molecular weight of 214.30 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane is sourced from PubChem (CID 68649136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).