Cas no 828300-31-8 (1,3-Benzenediol, 5-(decahydro-2-methyl-2-naphthalenyl)-)
828300-31-8 structure
Product Name:1,3-Benzenediol, 5-(decahydro-2-methyl-2-naphthalenyl)-
CAS No:828300-31-8
MF:C17H24O2
MW:260.371265411377
CID:681261
PubChem ID:71416921
Update Time:2025-04-19
1,3-Benzenediol, 5-(decahydro-2-methyl-2-naphthalenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol, 5-(decahydro-2-methyl-2-naphthalenyl)-
- 5-(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)benzene-1,3-diol
- 5-(2-Methyldecahydronaphthalen-2-yl)benzene-1,3-diol
- DTXSID70836277
- 828300-31-8
-
- Inchi： 1S/C17H24O2/c1-17(14-8-15(18)10-16(19)9-14)7-6-12-4-2-3-5-13(12)11-17/h8-10,12-13,18-19H,2-7,11H2,1H3
- InChI Key： KWFMNTRDCLKPDB-UHFFFAOYSA-N
- SMILES： OC1C=C(C=C(C=1)C1(C)CCC2CCCCC2C1)O
Computed Properties
- Exact Mass: 260.177630004g/mol
- Monoisotopic Mass: 260.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 306
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.7
- Topological Polar Surface Area: 40.5?2
1,3-Benzenediol, 5-(decahydro-2-methyl-2-naphthalenyl)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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