Cas no 115728-41-1 (Tricyclo[4.4.0.02,7]dec-3-ene-3-methanol,1-methyl-8-(1-methylethyl)-, (1R,2R,6S,7S,8S)-)
![Tricyclo[4.4.0.02,7]dec-3-ene-3-methanol,1-methyl-8-(1-methylethyl)-, (1R,2R,6S,7S,8S)- structure](https://ossimg.kuujia.com/scimg/116000/115728-41-1x500.png)
115728-41-1 structure
Product Name:Tricyclo[4.4.0.02,7]dec-3-ene-3-methanol,1-methyl-8-(1-methylethyl)-, (1R,2R,6S,7S,8S)-
CAS No:115728-41-1
MF:C15H24O
MW:220.350464820862
CID:182624
Update Time:2024-01-26
Tricyclo[4.4.0.02,7]dec-3-ene-3-methanol,1-methyl-8-(1-methylethyl)-, (1R,2R,6S,7S,8S)- Chemical and Physical Properties
Names and Identifiers
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- Tricyclo[4.4.0.02,7]dec-3-ene-3-methanol,1-methyl-8-(1-methylethyl)-, (1R,2R,6S,7S,8S)-
- Copaen-15-ol
- Tricyclo[4.4.0.02,7]dec-3-ene-3-methanol, 1-methyl-8-(1-methylethyl)-, (1R,2R,6S,7S,8S)-
-
- Inchi： 1S/C15H24O/c1-9(2)11-6-7-15(3)12-5-4-10(8-16)14(15)13(11)12/h4,9,11-14,16H,5-8H2,1-3H3/t11-,12-,13-,14+,15+/m0/s1
- InChI Key： JIXPRNKLOIEGFI-BTFPBAQTSA-N
- SMILES： [C@@]12(C)[C@]3([H])[C@@]([H])([C@@]1([H])C(CO)=CC3)[C@H](C(C)C)CC2
Computed Properties
- Exact Mass: 220.18282
- Monoisotopic Mass: 220.183
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 330
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- Density: 1.019
- Boiling Point: 310.1°C at 760 mmHg
- Flash Point: 118°C
- Refractive Index: 1.527
- PSA: 20.23
- pka: 14.77±0.10(Predicted)
Tricyclo[4.4.0.02,7]dec-3-ene-3-methanol,1-methyl-8-(1-methylethyl)-, (1R,2R,6S,7S,8S)- Related Literature
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
115728-41-1 (Tricyclo[4.4.0.02,7]dec-3-ene-3-methanol,1-methyl-8-(1-methylethyl)-, (1R,2R,6S,7S,8S)-) Related Products
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