2,6,9-trioxatricyclo[6.3.0.01,5]undecane

C8H12O3 — CID 135040721

IUPAC2,6,9-trioxatricyclo[6.3.0.01,5]undecane
SMILESC1CC23OCCC2OCC3O1
InChIInChI=1S/C8H12O3/c1-3-11-8-2-4-9-7(8)5-10-6(1)8/h6-7H,1-5H2
InChIKeyPAIPDVUKTQIVSZ-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.33
Rot. Bonds

About 2,6,9-trioxatricyclo[6.3.0.01,5]undecane

2,6,9-trioxatricyclo[6.3.0.01,5]undecane (PubChem CID 135040721) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2,6,9-trioxatricyclo[6.3.0.01,5]undecane.

Molecular Properties

Compound Name2,6,9-trioxatricyclo[6.3.0.01,5]undecane
PubChem CID135040721
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2,6,9-trioxatricyclo[6.3.0.01,5]undecane
SMILESC1CC23OCCC2OCC3O1
InChIInChI=1S/C8H12O3/c1-3-11-8-2-4-9-7(8)5-10-6(1)8/h6-7H,1-5H2
InChIKeyPAIPDVUKTQIVSZ-UHFFFAOYSA-N
XLogP0.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,6,9-trioxatricyclo[6.3.0.01,5]undecane with MolForge

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

Launch Full Analysis

Related Compounds

2,2-bis(oxiran-2-yl)oxirane
CID 88508066
6a-ethenyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan
CID 123940865
(5R,9R)-4-bromo-1-oxaspiro[4.4]nonan-9-ol
CID 117070668
[(3aR,5R,7aR)-5-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a-yl]methanamine
CID 125456350
3a-tert-butyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 167376284
9-methyl-8,12-dioxatricyclo[7.2.1.01,6]dodecan-10-ol
CID 73120868
1-[(2R)-oxiran-2-yl]cyclopropan-1-ol
CID 102424784
2-(bromomethyl)-2-(oxolan-2-yl)oxolane
CID 165443348
ethane;(1R,5S)-5-methyl-2-oxabicyclo[3.1.0]hexane
CID 155748871
4-iodo-1,9-dioxaspiro[5.5]undecane
CID 79923455
1,6-dioxaspiro[4.5]decan-9-ol
CID 10975764
2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ylmethanamine
CID 126827532

Frequently Asked Questions

What is the IUPAC name of 2,6,9-trioxatricyclo[6.3.0.01,5]undecane?
The IUPAC name of 2,6,9-trioxatricyclo[6.3.0.01,5]undecane (CID 135040721) is 2,6,9-trioxatricyclo[6.3.0.01,5]undecane.
What is the SMILES notation for 2,6,9-trioxatricyclo[6.3.0.01,5]undecane?
The canonical SMILES for 2,6,9-trioxatricyclo[6.3.0.01,5]undecane is C1CC23OCCC2OCC3O1.
What is the InChIKey of 2,6,9-trioxatricyclo[6.3.0.01,5]undecane?
The InChIKey is PAIPDVUKTQIVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-11-8-2-4-9-7(8)5-10-6(1)8/h6-7H,1-5H2.
What are the key properties of 2,6,9-trioxatricyclo[6.3.0.01,5]undecane?
2,6,9-trioxatricyclo[6.3.0.01,5]undecane has a molecular weight of 156.18 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9-trioxatricyclo[6.3.0.01,5]undecane is sourced from PubChem (CID 135040721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).