Cas no 114339-93-4 (3H-Cyclopropa[a]naphthalen-3-one,1,1a,2,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)-)
![3H-Cyclopropa[a]naphthalen-3-one,1,1a,2,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)- structure](https://ossimg.kuujia.com/scimg/114500/114339-93-4x500.png)
114339-93-4 structure
Product Name:3H-Cyclopropa[a]naphthalen-3-one,1,1a,2,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)-
CAS No:114339-93-4
MF:C15H22O
MW:218.334584712982
CID:194430
Update Time:2024-03-01
3H-Cyclopropa[a]naphthalen-3-one,1,1a,2,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Cyclopropa[a]naphthalen-3-one,1,1a,2,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)-
- aristol-1(10)-en-9-one
- (+)-Gansongone
- 3H-Cyclopropa[a]naphthalen-3-one,1,1a,2,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, [1aR-(1aa,7a,7aa,7ba)]-
- Gansongone
- 3H-Cyclopropa[a]naphthalen-3-one, 1,1a,2,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)-
-
- Inchi： 1S/C15H22O/c1-9-6-5-7-10-12(16)8-11-13(14(11,2)3)15(9,10)4/h7,9,11,13H,5-6,8H2,1-4H3/t9-,11-,13+,15+/m1/s1
- InChI Key： AMWACJANOINTHG-RNKJKDHYSA-N
- SMILES： [C@@]12([H])C(C)(C)[C@]1([H])CC(=O)C1[C@]2(C)[C@H](C)CCC=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- XLogP3: 4.325
Experimental Properties
- PSA: 17.07000
- LogP: 3.59400
3H-Cyclopropa[a]naphthalen-3-one,1,1a,2,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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