4-[(3-ethyloxetan-3-yl)methoxymethyl]-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane

C15H26O5 — CID 59660763

IUPAC4-[(3-ethyloxetan-3-yl)methoxymethyl]-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane
SMILESCCCC12OCC(COCC3(CC)COC3)(CO1)CO2
InChIInChI=1S/C15H26O5/c1-3-5-15-18-10-14(11-19-15,12-20-15)9-17-8-13(4-2)6-16-7-13/h3-12H2,1-2H3
InChIKeyWEVWRLNLDOOUJQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.95
Rot. Bonds7

About 4-[(3-ethyloxetan-3-yl)methoxymethyl]-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane

4-[(3-ethyloxetan-3-yl)methoxymethyl]-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane (PubChem CID 59660763) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[(3-ethyloxetan-3-yl)methoxymethyl]-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane.

Molecular Properties

Compound Name4-[(3-ethyloxetan-3-yl)methoxymethyl]-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane
PubChem CID59660763
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name4-[(3-ethyloxetan-3-yl)methoxymethyl]-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane
SMILESCCCC12OCC(COCC3(CC)COC3)(CO1)CO2
InChIInChI=1S/C15H26O5/c1-3-5-15-18-10-14(11-19-15,12-20-15)9-17-8-13(4-2)6-16-7-13/h3-12H2,1-2H3
InChIKeyWEVWRLNLDOOUJQ-UHFFFAOYSA-N
XLogP1.95
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyloxetan-3-yl)methoxymethyl]-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane?
The IUPAC name of 4-[(3-ethyloxetan-3-yl)methoxymethyl]-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane (CID 59660763) is 4-[(3-ethyloxetan-3-yl)methoxymethyl]-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane.
What is the SMILES notation for 4-[(3-ethyloxetan-3-yl)methoxymethyl]-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane?
The canonical SMILES for 4-[(3-ethyloxetan-3-yl)methoxymethyl]-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane is CCCC12OCC(COCC3(CC)COC3)(CO1)CO2.
What is the InChIKey of 4-[(3-ethyloxetan-3-yl)methoxymethyl]-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane?
The InChIKey is WEVWRLNLDOOUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-3-5-15-18-10-14(11-19-15,12-20-15)9-17-8-13(4-2)6-16-7-13/h3-12H2,1-2H3.
What are the key properties of 4-[(3-ethyloxetan-3-yl)methoxymethyl]-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane?
4-[(3-ethyloxetan-3-yl)methoxymethyl]-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane has a molecular weight of 286.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyloxetan-3-yl)methoxymethyl]-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane is sourced from PubChem (CID 59660763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).