methyl 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-ene-10-carboxylate

C15H20O2 — CID 139958433

IUPACmethyl 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-ene-10-carboxylate
SMILESCOC(=O)C1(C)CC2CC1C1CC=CC3CC321
InChIInChI=1S/C15H20O2/c1-14(13(16)17-2)7-10-6-12(14)11-5-3-4-9-8-15(9,10)11/h3-4,9-12H,5-8H2,1-2H3
InChIKeyLDWKRLSJPWJFBE-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.79
Rot. Bonds1

About methyl 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-ene-10-carboxylate

methyl 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-ene-10-carboxylate (PubChem CID 139958433) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-ene-10-carboxylate.

Molecular Properties

Compound Namemethyl 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-ene-10-carboxylate
PubChem CID139958433
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namemethyl 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-ene-10-carboxylate
SMILESCOC(=O)C1(C)CC2CC1C1CC=CC3CC321
InChIInChI=1S/C15H20O2/c1-14(13(16)17-2)7-10-6-12(14)11-5-3-4-9-8-15(9,10)11/h3-4,9-12H,5-8H2,1-2H3
InChIKeyLDWKRLSJPWJFBE-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-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 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-ene-10-carboxylate?
The IUPAC name of methyl 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-ene-10-carboxylate (CID 139958433) is methyl 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-ene-10-carboxylate.
What is the SMILES notation for methyl 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-ene-10-carboxylate?
The canonical SMILES for methyl 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-ene-10-carboxylate is COC(=O)C1(C)CC2CC1C1CC=CC3CC321.
What is the InChIKey of methyl 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-ene-10-carboxylate?
The InChIKey is LDWKRLSJPWJFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-14(13(16)17-2)7-10-6-12(14)11-5-3-4-9-8-15(9,10)11/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of methyl 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-ene-10-carboxylate?
methyl 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-ene-10-carboxylate has a molecular weight of 232.32 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-methyltetracyclo[7.2.1.02,4.02,8]dodec-5-ene-10-carboxylate is sourced from PubChem (CID 139958433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).