(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane

C12H20O3 — CID 71019394

IUPAC(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@]1(C)CCC[C@]2(C)O1
InChIInChI=1S/C12H20O3/c1-10(2)13-8-9(14-10)12(4)7-5-6-11(8,3)15-12/h8-9H,5-7H2,1-4H3/t8-,9+,11+,12-
InChIKeyKKEVTJIGJJSOJO-CDJYRKNRSA-N
MW212.29 g/mol
LogP2.24
Rot. Bonds

About (1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane

(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane (PubChem CID 71019394) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane.

Molecular Properties

Compound Name(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane
PubChem CID71019394
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@]1(C)CCC[C@]2(C)O1
InChIInChI=1S/C12H20O3/c1-10(2)13-8-9(14-10)12(4)7-5-6-11(8,3)15-12/h8-9H,5-7H2,1-4H3/t8-,9+,11+,12-
InChIKeyKKEVTJIGJJSOJO-CDJYRKNRSA-N
XLogP2.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane 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 (1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane?
The IUPAC name of (1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane (CID 71019394) is (1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane.
What is the SMILES notation for (1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane?
The canonical SMILES for (1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane is CC1(C)O[C@@H]2[C@H](O1)[C@@]1(C)CCC[C@]2(C)O1.
What is the InChIKey of (1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane?
The InChIKey is KKEVTJIGJJSOJO-CDJYRKNRSA-N. The full InChI is InChI=1S/C12H20O3/c1-10(2)13-8-9(14-10)12(4)7-5-6-11(8,3)15-12/h8-9H,5-7H2,1-4H3/t8-,9+,11+,12-.
What are the key properties of (1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane?
(1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane has a molecular weight of 212.29 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-1,4,4,7-tetramethyl-3,5,11-trioxatricyclo[5.3.1.02,6]undecane is sourced from PubChem (CID 71019394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).