3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane

C15H28O3 — CID 173479452

IUPAC3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane
SMILESCCC1(CO/C(C)=C/COC(C)(C)CC)COC1
InChIInChI=1S/C15H28O3/c1-6-14(4,5)18-9-8-13(3)17-12-15(7-2)10-16-11-15/h8H,6-7,9-12H2,1-5H3/b13-8+
InChIKeyLKWDPPDLYUMAHM-MDWZMJQESA-N
MW256.39 g/mol
LogP3.54
Rot. Bonds8

About 3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane

3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane (PubChem CID 173479452) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane.

Molecular Properties

Compound Name3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane
PubChem CID173479452
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane
SMILESCCC1(CO/C(C)=C/COC(C)(C)CC)COC1
InChIInChI=1S/C15H28O3/c1-6-14(4,5)18-9-8-13(3)17-12-15(7-2)10-16-11-15/h8H,6-7,9-12H2,1-5H3/b13-8+
InChIKeyLKWDPPDLYUMAHM-MDWZMJQESA-N
XLogP3.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane?
The IUPAC name of 3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane (CID 173479452) is 3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane.
What is the SMILES notation for 3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane?
The canonical SMILES for 3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane is CCC1(CO/C(C)=C/COC(C)(C)CC)COC1.
What is the InChIKey of 3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane?
The InChIKey is LKWDPPDLYUMAHM-MDWZMJQESA-N. The full InChI is InChI=1S/C15H28O3/c1-6-14(4,5)18-9-8-13(3)17-12-15(7-2)10-16-11-15/h8H,6-7,9-12H2,1-5H3/b13-8+.
What are the key properties of 3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane?
3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane has a molecular weight of 256.39 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[[(E)-4-(2-methylbutan-2-yloxy)but-2-en-2-yl]oxymethyl]oxetane is sourced from PubChem (CID 173479452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).