methyl (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate

C14H16O5 — CID 135023887

IUPACmethyl (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate
SMILESCOC(=O)[C@]1(C)CC2OC(=O)C1(C)C1=C2C(=O)CC1
InChIInChI=1S/C14H16O5/c1-13(11(16)18-3)6-9-10-7(4-5-8(10)15)14(13,2)12(17)19-9/h9H,4-6H2,1-3H3/t9?,13-,14?/m0/s1
InChIKeyFWGVLRLAHOMZQK-IMXVTNBVSA-N
MW264.28 g/mol
LogP1.16
Rot. Bonds1

About methyl (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate

methyl (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate (PubChem CID 135023887) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate.

Molecular Properties

Compound Namemethyl (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate
PubChem CID135023887
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Namemethyl (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate
SMILESCOC(=O)[C@]1(C)CC2OC(=O)C1(C)C1=C2C(=O)CC1
InChIInChI=1S/C14H16O5/c1-13(11(16)18-3)6-9-10-7(4-5-8(10)15)14(13,2)12(17)19-9/h9H,4-6H2,1-3H3/t9?,13-,14?/m0/s1
InChIKeyFWGVLRLAHOMZQK-IMXVTNBVSA-N
XLogP1.16
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-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 (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate?
The IUPAC name of methyl (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate (CID 135023887) is methyl (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate.
What is the SMILES notation for methyl (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate?
The canonical SMILES for methyl (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate is COC(=O)[C@]1(C)CC2OC(=O)C1(C)C1=C2C(=O)CC1.
What is the InChIKey of methyl (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate?
The InChIKey is FWGVLRLAHOMZQK-IMXVTNBVSA-N. The full InChI is InChI=1S/C14H16O5/c1-13(11(16)18-3)6-9-10-7(4-5-8(10)15)14(13,2)12(17)19-9/h9H,4-6H2,1-3H3/t9?,13-,14?/m0/s1.
What are the key properties of methyl (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate?
methyl (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (10R)-1,10-dimethyl-5,9-dioxo-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-10-carboxylate is sourced from PubChem (CID 135023887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).