methyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate

C15H20O2 — CID 71683001

IUPACmethyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate
SMILESC=C1CC[C@@H]2C[C@@H]3[C@H]1CC[C@@]31C[C@@]21C(=O)OC
InChIInChI=1S/C15H20O2/c1-9-3-4-10-7-12-11(9)5-6-14(12)8-15(10,14)13(16)17-2/h10-12H,1,3-8H2,2H3/t10-,11+,12-,14-,15+/m1/s1
InChIKeyMYCUDJUGLNNEIW-OGMFBOKVSA-N
MW232.32 g/mol
LogP2.93
Rot. Bonds1

About methyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate

methyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate (PubChem CID 71683001) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate
PubChem CID71683001
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namemethyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate
SMILESC=C1CC[C@@H]2C[C@@H]3[C@H]1CC[C@@]31C[C@@]21C(=O)OC
InChIInChI=1S/C15H20O2/c1-9-3-4-10-7-12-11(9)5-6-14(12)8-15(10,14)13(16)17-2/h10-12H,1,3-8H2,2H3/t10-,11+,12-,14-,15+/m1/s1
InChIKeyMYCUDJUGLNNEIW-OGMFBOKVSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carbaldehyde
CID 46191803
methyl (3aR,8aR)-4-methylidene-3-oxo-2,5,6,7,8,8a-hexahydro-1H-azulene-3a-carboxylate
CID 101410562
methyl (3aR,9aS)-3-methylidene-4-oxo-1,2,5,6,7,8,9,9a-octahydrocyclopenta[8]annulene-3a-carboxylate
CID 15358062
methyl (1R,6R)-7-methylidene-9-oxobicyclo[4.2.1]nonane-1-carboxylate
CID 10584475
methyl 1-cyclopentyl-2,2-dimethylcyclopropane-1-carboxylate
CID 116842886
trans-dimethyl (1S,2S)-3-methylidenecyclopentane-1,2-dicarboxylate
CID 22214590
methyl 3-(4-oxocyclohexyl)oxetane-3-carboxylate
CID 133054096
dimethyl (1R,5S)-2,6-dioxobicyclo[3.3.1]nonane-1,5-dicarboxylate
CID 727231
methyl (1S)-1-carbamoyl-2-methylidenecyclopentane-1-carboxylate
CID 130942720
methyl (1S,4aS,5S,8aR)-5-formyl-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
CID 12967025
methyl 1-hydroxy-3-methylidenecyclobutane-1-carboxylate
CID 15579856
dimethyl (3aS,6aS)-6a-methyl-4-methylidene-5-oxo-1,3,3a,6-tetrahydropentalene-2,2-dicarboxylate
CID 11032791

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate?
The IUPAC name of methyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate (CID 71683001) is methyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate.
What is the SMILES notation for methyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate?
The canonical SMILES for methyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate is C=C1CC[C@@H]2C[C@@H]3[C@H]1CC[C@@]31C[C@@]21C(=O)OC.
What is the InChIKey of methyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate?
The InChIKey is MYCUDJUGLNNEIW-OGMFBOKVSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-3-4-10-7-12-11(9)5-6-14(12)8-15(10,14)13(16)17-2/h10-12H,1,3-8H2,2H3/t10-,11+,12-,14-,15+/m1/s1.
What are the key properties of methyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate?
methyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate has a molecular weight of 232.32 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,4R,7R,12R)-8-methylidenetetracyclo[5.3.2.02,4.04,12]dodecane-2-carboxylate is sourced from PubChem (CID 71683001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).