2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate

C17H24O2 — CID 59748123

IUPAC2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate
SMILESCC(=O)OCCC1C(C)C2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C17H24O2/c1-9-13(5-6-19-10(2)18)15-8-14(9)16-11-3-4-12(7-11)17(15)16/h3-4,9,11-17H,5-8H2,1-2H3
InChIKeyNWCXGPMEPGASJT-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.28
Rot. Bonds3

About 2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate

2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate (PubChem CID 59748123) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate.

Molecular Properties

Compound Name2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate
PubChem CID59748123
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate
SMILESCC(=O)OCCC1C(C)C2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C17H24O2/c1-9-13(5-6-19-10(2)18)15-8-14(9)16-11-3-4-12(7-11)17(15)16/h3-4,9,11-17H,5-8H2,1-2H3
InChIKeyNWCXGPMEPGASJT-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.28
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 2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate 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 2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate?
The IUPAC name of 2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate (CID 59748123) is 2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate.
What is the SMILES notation for 2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate?
The canonical SMILES for 2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate is CC(=O)OCCC1C(C)C2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate?
The InChIKey is NWCXGPMEPGASJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-9-13(5-6-19-10(2)18)15-8-14(9)16-11-3-4-12(7-11)17(15)16/h3-4,9,11-17H,5-8H2,1-2H3.
What are the key properties of 2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate?
2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate has a molecular weight of 260.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate is sourced from PubChem (CID 59748123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).