3,3-dimethylbut-1-en-2-ol; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+)

Systemtic Name: 3,3-dimethylbut-1-en-2-ol; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+) Openeye Name: 3,3-dimethylbut-1-en-2-ol; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+) CAS Name: 3,3-dimethyl-1-buten-2-ol; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+) IUPAC Name: 3,3-dimethylbut-1-en-2-ol; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+) Traditional Name: 3,3-dimethylbut-1-en-2-ol; 1,2,3,4,5-pentamethylcyclopentane; titanium(3+) Formula: C26H41OTi+2 MolecularWeight: 417.47014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.CC(C)(C)C(=[CH-])O.[Ti+3]

Isomeric SMILES

C[C]1[C]([C]([C]([C]1C)C)C)C.C[C]1[C]([C]([C]([C]1C)C)C)C.CC(C)(C)C(=[CH-])O.[Ti+3]

InChI

InChI=1S/2C10H15.C6H11O.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;1-5(7)6(2,3)4;/h2*1-5H3;1,7H,2-4H3;/q;;-1;+3