Cas no 59300-51-5 (Santalon)
Santalon structure
Product Name:Santalon
CAS No:59300-51-5
MF:C11H16O
MW:164.244143486023
CID:2030372
PubChem ID:71438766
Update Time:2025-04-21
Santalon Chemical and Physical Properties
Names and Identifiers
-
- Santalon
- Santalone
- 1-(2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)ethanone
- Ethanone, 1-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-
- 10,11,12,13-Tetranor-a-santalan-8-one
- OTAKYGLQNSNZRX-UHFFFAOYSA-N
- DTXSID201318581
- 59300-51-5
- 1-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)ethanone
- CHEMBL4545716
- CHEBI:195764
- Ethanone, 1-(2,3-dimethyltricyclo(2.2.1.02,6)hept-3-yl)-
- 1-(2,3-dimethyl-3-tricyclo(2.2.1.02,6)heptanyl)ethanone
- DB-300363
- 1-(2,3-Dimethyltricyclo(2.2.1.02,6)heptan-3-yl)ethanone
-
- Inchi： 1S/C11H16O/c1-6(12)10(2)7-4-8-9(5-7)11(8,10)3/h7-9H,4-5H2,1-3H3
- InChI Key： OTAKYGLQNSNZRX-UHFFFAOYSA-N
- SMILES： O=C(C)C1(C)C2CC3C(C2)C31C
Computed Properties
- Exact Mass: 164.120115130g/mol
- Monoisotopic Mass: 164.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 269
- 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: 2.1
- Topological Polar Surface Area: 17.1?2
Santalon Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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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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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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