1-adamantylmethyl pentanoate

Systemtic Name: 1-adamantylmethyl pentanoate Openeye Name: 1-adamantylmethyl pentanoate CAS Name: pentanoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl pentanoate Traditional Name: valeric acid 1-adamantylmethyl ester Formula: C16H26O2 MolecularWeight: 250.37644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCCCC(=O)OCC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C16H26O2/c1-2-3-4-15(17)18-11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,2-11H2,1H3