5,5-dimethyl-1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]hex-2-yne-1,4-diol

Systemtic Name: 5,5-dimethyl-1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]hex-2-yne-1,4-diol Openeye Name: 5,5-dimethyl-1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]hex-2-yne-1,4-diol CAS Name: 5,5-dimethyl-1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-2-hexyne-1,4-diol IUPAC Name: 5,5-dimethyl-1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]hex-2-yne-1,4-diol Traditional Name: 1-[1-amyl-4-(4-amylcyclohexyl)cyclohexyl]-5,5-dimethyl-hex-2-yne-1,4-diol Formula: C30H54O2 MolecularWeight: 446.74856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCC(CC2)(CCCCC)C(C#CC(C(C)(C)C)O)O

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCC(CC2)(CCCCC)C(C#CC(C(C)(C)C)O)O

InChI

InChI=1S/C30H54O2/c1-6-8-10-12-24-13-15-25(16-14-24)26-19-22-30(23-20-26,21-11-9-7-2)28(32)18-17-27(31)29(3,4)5/h24-28,31-32H,6-16,19-23H2,1-5H3