ethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate

C11H16O4 — CID 141313194

IUPACethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate
SMILESCCOC(=O)C12CC1CC1OC(C)OC12
InChIInChI=1S/C11H16O4/c1-3-13-10(12)11-5-7(11)4-8-9(11)15-6(2)14-8/h6-9H,3-5H2,1-2H3
InChIKeyXBNDFIFYUJFCBX-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.09
Rot. Bonds2

About ethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate

ethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate (PubChem CID 141313194) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate
PubChem CID141313194
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate
SMILESCCOC(=O)C12CC1CC1OC(C)OC12
InChIInChI=1S/C11H16O4/c1-3-13-10(12)11-5-7(11)4-8-9(11)15-6(2)14-8/h6-9H,3-5H2,1-2H3
InChIKeyXBNDFIFYUJFCBX-UHFFFAOYSA-N
XLogP1.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate
CID 67962947
diethyl 2-methyl-1,3-dioxane-5,5-dicarboxylate
CID 15130485
ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate
CID 130703819
ethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate
CID 143605587
ethyl 5-methyl-2-oxo-3-propyloxolane-3-carboxylate
CID 3637605
ethyl 2-(methylamino)adamantane-2-carboxylate
CID 62778952
ethyl 3-oxabicyclo[3.1.0]hexane-1-carboxylate
CID 123179278
diethyl (1S,5S)-2-oxabicyclo[3.1.0]hexane-6,6-dicarboxylate
CID 10489517
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl (2S,3R)-2,3-dimethyloxirane-2-carboxylate
CID 45090035
diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate
CID 12740750
ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate
CID 143508275

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate?
The IUPAC name of ethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate (CID 141313194) is ethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate.
What is the SMILES notation for ethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate?
The canonical SMILES for ethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate is CCOC(=O)C12CC1CC1OC(C)OC12.
What is the InChIKey of ethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate?
The InChIKey is XBNDFIFYUJFCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-13-10(12)11-5-7(11)4-8-9(11)15-6(2)14-8/h6-9H,3-5H2,1-2H3.
What are the key properties of ethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate?
ethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-2-carboxylate is sourced from PubChem (CID 141313194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).