3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate

C26H42O7 — CID 159941715

IUPAC3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
SMILESCCC1(COCC2(CC)COC2)COC1.O=C(OCC1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C14H20O4.C12H22O3/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10;1-3-11(5-13-6-11)9-15-10-12(4-2)7-14-8-12/h8-13H,1-7H2;3-10H2,1-2H3
InChIKeyOAYSGIUZDOTQKM-UHFFFAOYSA-N
MW466.62 g/mol
LogP3.52
Rot. Bonds9

About 3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate

3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate (PubChem CID 159941715) has the molecular formula C26H42O7 and a molecular weight of 466.62 g/mol. Its IUPAC name is 3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate.

Molecular Properties

Compound Name3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
PubChem CID159941715
Molecular FormulaC26H42O7
Molecular Weight466.62 g/mol
Exact Mass466.29
IUPAC Name3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
SMILESCCC1(COCC2(CC)COC2)COC1.O=C(OCC1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C14H20O4.C12H22O3/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10;1-3-11(5-13-6-11)9-15-10-12(4-2)7-14-8-12/h8-13H,1-7H2;3-10H2,1-2H3
InChIKeyOAYSGIUZDOTQKM-UHFFFAOYSA-N
XLogP3.52
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.62
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The IUPAC name of 3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate (CID 159941715) is 3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate.
What is the SMILES notation for 3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The canonical SMILES for 3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate is CCC1(COCC2(CC)COC2)COC1.O=C(OCC1CCC2OC2C1)C1CCC2OC2C1.
What is the InChIKey of 3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate?
The InChIKey is OAYSGIUZDOTQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4.C12H22O3/c15-14(9-2-4-11-13(6-9)18-11)16-7-8-1-3-10-12(5-8)17-10;1-3-11(5-13-6-11)9-15-10-12(4-2)7-14-8-12/h8-13H,1-7H2;3-10H2,1-2H3.
What are the key properties of 3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate?
3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate has a molecular weight of 466.62 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(3-ethyloxetan-3-yl)methoxymethyl]oxetane;7-oxabicyclo[4.1.0]heptan-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate is sourced from PubChem (CID 159941715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).