1-butyl-3-methyl-1,2,3,3a-tetrahydropentalene

Systemtic Name: 1-butyl-3-methyl-1,2,3,3a-tetrahydropentalene Openeye Name: 1-butyl-3-methyl-1,2,3,3a-tetrahydropentalene CAS Name: 1-butyl-3-methyl-1,2,3,3a-tetrahydropentalene IUPAC Name: 1-butyl-3-methyl-1,2,3,3a-tetrahydropentalene Traditional Name: 1-butyl-3-methyl-1,2,3,3a-tetrahydropentalene Formula: C13H20 MolecularWeight: 176.2979

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(C2C1=CC=C2)C

Isomeric SMILES

CCCCC1CC(C2C1=CC=C2)C

InChI

InChI=1S/C13H20/c1-3-4-6-11-9-10(2)12-7-5-8-13(11)12/h5,7-8,10-12H,3-4,6,9H2,1-2H3