3-ethyl-2-[(3-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete

C12H18O3 — CID 150779466

IUPAC3-ethyl-2-[(3-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete
SMILESCCC1=COC1COCC1OC=C1CC
InChIInChI=1S/C12H18O3/c1-3-9-5-14-11(9)7-13-8-12-10(4-2)6-15-12/h5-6,11-12H,3-4,7-8H2,1-2H3
InChIKeyKBOKRQMDDJWWNZ-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.39
Rot. Bonds6

About 3-ethyl-2-[(3-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete

3-ethyl-2-[(3-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete (PubChem CID 150779466) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-ethyl-2-[(3-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete.

Molecular Properties

Compound Name3-ethyl-2-[(3-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete
PubChem CID150779466
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3-ethyl-2-[(3-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete
SMILESCCC1=COC1COCC1OC=C1CC
InChIInChI=1S/C12H18O3/c1-3-9-5-14-11(9)7-13-8-12-10(4-2)6-15-12/h5-6,11-12H,3-4,7-8H2,1-2H3
InChIKeyKBOKRQMDDJWWNZ-UHFFFAOYSA-N
XLogP2.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.39
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-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete?
The IUPAC name of 3-ethyl-2-[(3-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete (CID 150779466) is 3-ethyl-2-[(3-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete.
What is the SMILES notation for 3-ethyl-2-[(3-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete?
The canonical SMILES for 3-ethyl-2-[(3-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete is CCC1=COC1COCC1OC=C1CC.
What is the InChIKey of 3-ethyl-2-[(3-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete?
The InChIKey is KBOKRQMDDJWWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-9-5-14-11(9)7-13-8-12-10(4-2)6-15-12/h5-6,11-12H,3-4,7-8H2,1-2H3.
What are the key properties of 3-ethyl-2-[(3-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete?
3-ethyl-2-[(3-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete has a molecular weight of 210.27 g/mol, XLogP of 2.39, 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-ethyl-2H-oxet-2-yl)methoxymethyl]-2H-oxete is sourced from PubChem (CID 150779466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).