4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane

C11H18O5 — CID 176842545

IUPAC4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
SMILESCCC1OCC2OC3OC(CC)OC3C2O1
InChIInChI=1S/C11H18O5/c1-3-7-12-5-6-9(14-7)10-11(13-6)16-8(4-2)15-10/h6-11H,3-5H2,1-2H3
InChIKeyCYZKBYNIOKAXNB-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.01
Rot. Bonds2

About 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane

4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane (PubChem CID 176842545) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane.

Molecular Properties

Compound Name4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
PubChem CID176842545
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
SMILESCCC1OCC2OC3OC(CC)OC3C2O1
InChIInChI=1S/C11H18O5/c1-3-7-12-5-6-9(14-7)10-11(13-6)16-8(4-2)15-10/h6-11H,3-5H2,1-2H3
InChIKeyCYZKBYNIOKAXNB-UHFFFAOYSA-N
XLogP1.01
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane 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 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The IUPAC name of 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane (CID 176842545) is 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane.
What is the SMILES notation for 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The canonical SMILES for 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane is CCC1OCC2OC3OC(CC)OC3C2O1.
What is the InChIKey of 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
The InChIKey is CYZKBYNIOKAXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-3-7-12-5-6-9(14-7)10-11(13-6)16-8(4-2)15-10/h6-11H,3-5H2,1-2H3.
What are the key properties of 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane?
4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane has a molecular weight of 230.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-diethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane is sourced from PubChem (CID 176842545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).