Cas no 67708-79-6 (1,4-Benzenediol, bis(1,1-dimethylpropyl)-)
67708-79-6 structure
Product Name:1,4-Benzenediol, bis(1,1-dimethylpropyl)-
CAS No:67708-79-6
MF:C16H26O2
MW:250.376445293427
CID:387703
PubChem ID:19818320
Update Time:2025-04-19
1,4-Benzenediol, bis(1,1-dimethylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediol, bis(1,1-dimethylpropyl)-
- 2,3-bis(2-methylbutan-2-yl)benzene-1,4-diol
- DTXSID00600286
- 67708-79-6
- SCHEMBL720140
- di-tertiary-amyl hydroquinone
-
- Inchi: 1S/C16H26O2/c1-7-15(3,4)13-11(17)9-10-12(18)14(13)16(5,6)8-2/h9-10,17-18H,7-8H2,1-6H3
- InChI Key: GPMCZKILFBRNNY-UHFFFAOYSA-N
- SMILES: OC1=CC=C(C(=C1C(C)(C)CC)C(C)(C)CC)O
Computed Properties
- Exact Mass: 250.193280068g/mol
- Monoisotopic Mass: 250.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 242
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.6
- Topological Polar Surface Area: 40.5?2
1,4-Benzenediol, bis(1,1-dimethylpropyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
67708-79-6 (1,4-Benzenediol, bis(1,1-dimethylpropyl)-) Related Products
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