methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate

C15H20O2 — CID 18784409

IUPACmethyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
SMILESCOC(=O)C1(C)CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C15H20O2/c1-15(14(16)17-2)7-10-6-11(15)13-9-4-3-8(5-9)12(10)13/h3-4,8-13H,5-7H2,1-2H3
InChIKeyUMCSHTKHXAMMQM-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.64
Rot. Bonds1

About methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate

methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate (PubChem CID 18784409) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
PubChem CID18784409
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namemethyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
SMILESCOC(=O)C1(C)CC2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C15H20O2/c1-15(14(16)17-2)7-10-6-11(15)13-9-4-3-8(5-9)12(10)13/h3-4,8-13H,5-7H2,1-2H3
InChIKeyUMCSHTKHXAMMQM-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate with MolForge

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Related Compounds

Silphinene-15-oate
CID 170835690
Bicyclo[2.2.1]hept-2-ene;methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 170852070
Methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 170852071
Bicyclo[2.2.1]hept-2-ene;methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 170852072
methyl (3bR,6aS,7R,7aR)-5,5-dimethyl-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[b]pentalene-7-carboxylate
CID 338652
Methyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate;methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 157081451
4-Methyltetracyclo[6.2.1.13,6,02,7]dodec-9-ene-4-carboxylic acid
CID 20695167
1,2,3,4,4a,5,8,8a-Octahydro-1,4:5,8-dimethanonaphthalene-2-carboxylic acid
CID 23377190
4-(Trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 71004693
4-Fluorotetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 118231087
5,5-Dimethyl-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 118231089
4-(Fluoromethyl)-5,5-dimethyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 118233701

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The IUPAC name of methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate (CID 18784409) is methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate.
What is the SMILES notation for methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The canonical SMILES for methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate is COC(=O)C1(C)CC2CC1C1C3C=CC(C3)C21.
What is the InChIKey of methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
The InChIKey is UMCSHTKHXAMMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-15(14(16)17-2)7-10-6-11(15)13-9-4-3-8(5-9)12(10)13/h3-4,8-13H,5-7H2,1-2H3.
What are the key properties of methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate?
methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate has a molecular weight of 232.32 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate is sourced from PubChem (CID 18784409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).