methyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate

C11H14O4 — CID 58668019

IUPACmethyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate
SMILESCOC(=O)C1=COC2OCC3CCC1C32
InChIInChI=1S/C11H14O4/c1-13-10(12)8-5-15-11-9-6(4-14-11)2-3-7(8)9/h5-7,9,11H,2-4H2,1H3
InChIKeyLEXUNOJSLAKOHT-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.07
Rot. Bonds1

About methyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate

methyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate (PubChem CID 58668019) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate.

Molecular Properties

Compound Namemethyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate
PubChem CID58668019
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate
SMILESCOC(=O)C1=COC2OCC3CCC1C32
InChIInChI=1S/C11H14O4/c1-13-10(12)8-5-15-11-9-6(4-14-11)2-3-7(8)9/h5-7,9,11H,2-4H2,1H3
InChIKeyLEXUNOJSLAKOHT-UHFFFAOYSA-N
XLogP1.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-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 methyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate?
The IUPAC name of methyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate (CID 58668019) is methyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate.
What is the SMILES notation for methyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate?
The canonical SMILES for methyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate is COC(=O)C1=COC2OCC3CCC1C32.
What is the InChIKey of methyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate?
The InChIKey is LEXUNOJSLAKOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-13-10(12)8-5-15-11-9-6(4-14-11)2-3-7(8)9/h5-7,9,11H,2-4H2,1H3.
What are the key properties of methyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate?
methyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate is sourced from PubChem (CID 58668019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).