dimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate

C14H20O4 — CID 13426381

IUPACdimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate
SMILESCOC(=O)[C@]12CCC[C@@]1(C(=O)OC)[C@@H]1CC[C@H]2C1
InChIInChI=1S/C14H20O4/c1-17-11(15)13-6-3-7-14(13,12(16)18-2)10-5-4-9(13)8-10/h9-10H,3-8H2,1-2H3/t9-,10+,13+,14-
InChIKeyOCFMPSIQWYAAIB-DHPDLVEQSA-N
MW252.31 g/mol
LogP1.92
Rot. Bonds2

About dimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate

dimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate (PubChem CID 13426381) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is dimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate
PubChem CID13426381
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namedimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate
SMILESCOC(=O)[C@]12CCC[C@@]1(C(=O)OC)[C@@H]1CC[C@H]2C1
InChIInChI=1S/C14H20O4/c1-17-11(15)13-6-3-7-14(13,12(16)18-2)10-5-4-9(13)8-10/h9-10H,3-8H2,1-2H3/t9-,10+,13+,14-
InChIKeyOCFMPSIQWYAAIB-DHPDLVEQSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate 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 dimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate?
The IUPAC name of dimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate (CID 13426381) is dimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate.
What is the SMILES notation for dimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate?
The canonical SMILES for dimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate is COC(=O)[C@]12CCC[C@@]1(C(=O)OC)[C@@H]1CC[C@H]2C1.
What is the InChIKey of dimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate?
The InChIKey is OCFMPSIQWYAAIB-DHPDLVEQSA-N. The full InChI is InChI=1S/C14H20O4/c1-17-11(15)13-6-3-7-14(13,12(16)18-2)10-5-4-9(13)8-10/h9-10H,3-8H2,1-2H3/t9-,10+,13+,14-.
What are the key properties of dimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate?
dimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate has a molecular weight of 252.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,2R,6S,7S)-tricyclo[5.2.1.02,6]decane-2,6-dicarboxylate is sourced from PubChem (CID 13426381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).