methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate

C10H12O5 — CID 20764970

IUPACmethyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESCOC(=O)C1C2OC3C(OC(=O)C31)C2C
InChIInChI=1S/C10H12O5/c1-3-6-4(9(11)13-2)5-8(14-6)7(3)15-10(5)12/h3-8H,1-2H3
InChIKeyUPTGOTXQBSOXHW-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.27
Rot. Bonds1

About methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate

methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate (PubChem CID 20764970) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate
PubChem CID20764970
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namemethyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESCOC(=O)C1C2OC3C(OC(=O)C31)C2C
InChIInChI=1S/C10H12O5/c1-3-6-4(9(11)13-2)5-8(14-6)7(3)15-10(5)12/h3-8H,1-2H3
InChIKeyUPTGOTXQBSOXHW-UHFFFAOYSA-N
XLogP-0.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate with MolForge

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Related Compounds

(1,3-dioxohexahydro-4,7-epoxy-2-benzofuran-4(1H)-yl)methyl acetate
CID 297175
(5-Oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-fluoroacetate
CID 57611511
2,2,2-Trifluoroethyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 57984029
3,3-Difluorobutan-2-yl 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 58100667
[5-Oxo-6-(trifluoromethyl)-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl] 2-methylbutanoate
CID 58205702
1,1,1,3,3,3-Hexafluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 58571455
(1-Ethylcyclopentyl) 2-(2-fluoro-2-methylbutanoyl)oxy-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 58892636
(5-Oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoropropanoate
CID 59602511
[5-Oxo-6-(trifluoromethyl)-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl] 2-methylpropanoate
CID 68392711
(1,1,1,3,3-Pentafluoro-4,5-dioxopentan-2-yl) 5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 89483894
2,2,2-Trifluoroethyl 2-(2-methylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 89594346
(5-Oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoroacetate
CID 89805794

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The IUPAC name of methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate (CID 20764970) is methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The canonical SMILES for methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate is COC(=O)C1C2OC3C(OC(=O)C31)C2C.
What is the InChIKey of methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The InChIKey is UPTGOTXQBSOXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-3-6-4(9(11)13-2)5-8(14-6)7(3)15-10(5)12/h3-8H,1-2H3.
What are the key properties of methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate has a molecular weight of 212.20 g/mol, XLogP of -0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate is sourced from PubChem (CID 20764970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).