Cas no 101555-40-2 (Naphthalene,1,2,3,4,4a,5,6,8a-octahydro-8-methoxy-, trans- (9CI))
101555-40-2 structure
Product Name:Naphthalene,1,2,3,4,4a,5,6,8a-octahydro-8-methoxy-, trans- (9CI)
CAS No:101555-40-2
MF:C11H18O
MW:166.260023593903
CID:185523
PubChem ID:145369
Update Time:2025-04-19
Naphthalene,1,2,3,4,4a,5,6,8a-octahydro-8-methoxy-, trans- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Naphthalene,1,2,3,4,4a,5,6,8a-octahydro-8-methoxy-, trans- (9CI)
- 8-methoxy-1,2,3,4,4a,5,6,8a-octahydronaphthalene
- trans-8-Methoxy-1,2,3,4,4a,5,6,8a-octahydronaphthalene
- 101555-40-2
- DTXSID00906311
-
- Inchi： 1S/C11H18O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h8-10H,2-7H2,1H3
- InChI Key： BTLRDSPISZYIIT-UHFFFAOYSA-N
- SMILES： O(C)C1=CCCC2CCCCC21
Computed Properties
- Exact Mass: 166.13584
- Monoisotopic Mass: 166.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 183
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Naphthalene,1,2,3,4,4a,5,6,8a-octahydro-8-methoxy-, trans- (9CI) Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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