(1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane

C11H14O4 — CID 11469877

IUPAC(1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
SMILESC[C@@]12O[C@H]3O[C@H]4O[C@@](C)(O1)[C@@H]1[C@H]4C[C@H]3[C@H]12
InChIInChI=1S/C11H14O4/c1-10-6-4-3-5-7(6)11(2,15-10)14-9(5)12-8(4)13-10/h4-9H,3H2,1-2H3/t4-,5+,6-,7-,8+,9-,10+,11-/m1/s1
InChIKeyHDBXOEZZKFPXIW-GVHXSHFDSA-N
MW210.23 g/mol
LogP1.06
Rot. Bonds

About (1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane

(1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane (PubChem CID 11469877) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane.

Molecular Properties

Compound Name(1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
PubChem CID11469877
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane
SMILESC[C@@]12O[C@H]3O[C@H]4O[C@@](C)(O1)[C@@H]1[C@H]4C[C@H]3[C@H]12
InChIInChI=1S/C11H14O4/c1-10-6-4-3-5-7(6)11(2,15-10)14-9(5)12-8(4)13-10/h4-9H,3H2,1-2H3/t4-,5+,6-,7-,8+,9-,10+,11-/m1/s1
InChIKeyHDBXOEZZKFPXIW-GVHXSHFDSA-N
XLogP1.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane 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 (1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane?
The IUPAC name of (1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane (CID 11469877) is (1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane.
What is the SMILES notation for (1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane?
The canonical SMILES for (1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane is C[C@@]12O[C@H]3O[C@H]4O[C@@](C)(O1)[C@@H]1[C@H]4C[C@H]3[C@H]12.
What is the InChIKey of (1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane?
The InChIKey is HDBXOEZZKFPXIW-GVHXSHFDSA-N. The full InChI is InChI=1S/C11H14O4/c1-10-6-4-3-5-7(6)11(2,15-10)14-9(5)12-8(4)13-10/h4-9H,3H2,1-2H3/t4-,5+,6-,7-,8+,9-,10+,11-/m1/s1.
What are the key properties of (1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane?
(1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane has a molecular weight of 210.23 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4S,6R,7S,9R,11R)-1,11-dimethyl-8,10,12,13-tetraoxapentacyclo[5.5.1.02,6.03,11.04,9]tridecane is sourced from PubChem (CID 11469877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).