Cas no 54532-93-3 (1,5-Naphthalenedione, 3,7-bis(1,1-dimethylethyl)-)
54532-93-3 structure
Product Name:1,5-Naphthalenedione, 3,7-bis(1,1-dimethylethyl)-
CAS No:54532-93-3
MF:C18H22O2
MW:270.366085529327
CID:354319
PubChem ID:24972410
Update Time:2025-04-19
1,5-Naphthalenedione, 3,7-bis(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,5-Naphthalenedione, 3,7-bis(1,1-dimethylethyl)-
- 3,7-Di-tert-butylnaphthalene-1,5-dione
- 3,7-ditert-butylnaphthalene-1,5-dione
- DTXSID60648149
- 54532-93-3
- 3,7-ditert-butyl-naphthalene-1,5-dione
- 3,7-ditert-butyl-1,5-naphthalenedione
-
- Inchi： 1S/C18H22O2/c1-17(2,3)11-7-13-14(15(19)9-11)8-12(10-16(13)20)18(4,5)6/h7-10H,1-6H3
- InChI Key： LKPNJVWRIMTOBH-UHFFFAOYSA-N
- SMILES： O=C1C=C(C=C2C(C=C(C=C21)C(C)(C)C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 270.16206
- Monoisotopic Mass: 270.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 553
- 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: 3.8
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,5-Naphthalenedione, 3,7-bis(1,1-dimethylethyl)- Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
54532-93-3 (1,5-Naphthalenedione, 3,7-bis(1,1-dimethylethyl)-) Related Products
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