methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate

C13H16O5 — CID 100982227

IUPACmethyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate
SMILESCOC(=O)C1=CC2C3CCOC2(OC)C(=O)C1C3
InChIInChI=1S/C13H16O5/c1-16-12(15)9-6-10-7-3-4-18-13(10,17-2)11(14)8(9)5-7/h6-8,10H,3-5H2,1-2H3
InChIKeyULDYEQZTBDGALO-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.68
Rot. Bonds2

About methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate

methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate (PubChem CID 100982227) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate
PubChem CID100982227
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Namemethyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate
SMILESCOC(=O)C1=CC2C3CCOC2(OC)C(=O)C1C3
InChIInChI=1S/C13H16O5/c1-16-12(15)9-6-10-7-3-4-18-13(10,17-2)11(14)8(9)5-7/h6-8,10H,3-5H2,1-2H3
InChIKeyULDYEQZTBDGALO-UHFFFAOYSA-N
XLogP0.68
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Dimethyl 11-butyl-2-oxo-3-prop-2-ynoxy-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate
CID 72807187
Dimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate
CID 135067924
Dimethyl 3-acetyloxy-11-butyl-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate
CID 135068846
(1S,3R,7S,8R)-3-methoxy-10-methyl-4-oxatricyclo[5.3.1.03,8]undec-9-en-2-one
CID 10910748
Methyl 3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
CID 85308277
Methyl 12,12-dimethoxy-11-oxo-3-oxatricyclo[6.2.2.02,7]dodec-9-ene-9-carboxylate
CID 100943025
Methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate
CID 100982220
Methyl 3-methoxy-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate
CID 100982224
Methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate
CID 100982225
methyl (1R,2R,6R,7R)-11,11-dimethoxy-10-oxo-3-oxatricyclo[5.2.2.02,6]undec-8-ene-9-carboxylate
CID 101086293
methyl (1S,2S,4S)-5-acetyl-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 10493133
methyl (1S,2S,4S)-5-(1,3-dioxolan-2-yl)-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 10519159

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate?
The IUPAC name of methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate (CID 100982227) is methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate.
What is the SMILES notation for methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate?
The canonical SMILES for methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate is COC(=O)C1=CC2C3CCOC2(OC)C(=O)C1C3.
What is the InChIKey of methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate?
The InChIKey is ULDYEQZTBDGALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-16-12(15)9-6-10-7-3-4-18-13(10,17-2)11(14)8(9)5-7/h6-8,10H,3-5H2,1-2H3.
What are the key properties of methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate?
methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate is sourced from PubChem (CID 100982227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).