methyl (1S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate

C11H14O4 — CID 71137427

IUPACmethyl (1S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate
SMILESCOC(=O)C1=CO[C@@H]2OCC3CC[C@H]1[C@@H]32
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/t6?,7-,9-,11+/m1/s1
InChIKeyLEXUNOJSLAKOHT-CTJBUTRISA-N
MW210.23 g/mol
LogP1.07
Rot. Bonds1

About methyl (1S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate

methyl (1S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate (PubChem CID 71137427) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl (1S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate.

Molecular Properties

Compound Namemethyl (1S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate
PubChem CID71137427
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl (1S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate
SMILESCOC(=O)C1=CO[C@@H]2OCC3CC[C@H]1[C@@H]32
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/t6?,7-,9-,11+/m1/s1
InChIKeyLEXUNOJSLAKOHT-CTJBUTRISA-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 (1S,7S,11S)-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 (1S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate?
The IUPAC name of methyl (1S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate (CID 71137427) is methyl (1S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate.
What is the SMILES notation for methyl (1S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate?
The canonical SMILES for methyl (1S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate is COC(=O)C1=CO[C@@H]2OCC3CC[C@H]1[C@@H]32.
What is the InChIKey of methyl (1S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate?
The InChIKey is LEXUNOJSLAKOHT-CTJBUTRISA-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/t6?,7-,9-,11+/m1/s1.
What are the key properties of methyl (1S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate?
methyl (1S,7S,11S)-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 (1S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undec-8-ene-8-carboxylate is sourced from PubChem (CID 71137427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).