methyl 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate

C11H14O5 — CID 3600596

IUPACmethyl 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate
SMILESCOC(=O)C1(C)C2CCC3(COC(=O)C31)O2
InChIInChI=1S/C11H14O5/c1-10(9(13)14-2)6-3-4-11(16-6)5-15-8(12)7(10)11/h6-7H,3-5H2,1-2H3
InChIKeyHVRYQSOBKGUPLN-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.27
Rot. Bonds1

About methyl 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate

methyl 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate (PubChem CID 3600596) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate
PubChem CID3600596
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Namemethyl 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate
SMILESCOC(=O)C1(C)C2CCC3(COC(=O)C31)O2
InChIInChI=1S/C11H14O5/c1-10(9(13)14-2)6-3-4-11(16-6)5-15-8(12)7(10)11/h6-7H,3-5H2,1-2H3
InChIKeyHVRYQSOBKGUPLN-UHFFFAOYSA-N
XLogP0.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate?
The IUPAC name of methyl 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate (CID 3600596) is methyl 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate.
What is the SMILES notation for methyl 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate?
The canonical SMILES for methyl 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate is COC(=O)C1(C)C2CCC3(COC(=O)C31)O2.
What is the InChIKey of methyl 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate?
The InChIKey is HVRYQSOBKGUPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-10(9(13)14-2)6-3-4-11(16-6)5-15-8(12)7(10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of methyl 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate?
methyl 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate has a molecular weight of 226.23 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 6-methyl-4-oxo-3,10-dioxatricyclo[5.2.1.01,5]decane-6-carboxylate is sourced from PubChem (CID 3600596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).