Cas no 99901-22-1 ((+)-2,2,6,7-tetramethylbicyclonona-4,9(1)dien-8-one)
99901-22-1 structure
Product Name:(+)-2,2,6,7-tetramethylbicyclonona-4,9(1)dien-8-one
CAS No:99901-22-1
MF:C13H18O
MW:190.281424045563
CID:2007702
PubChem ID:162994648
Update Time:2025-04-21
(+)-2,2,6,7-tetramethylbicyclonona-4,9(1)dien-8-one Chemical and Physical Properties
Names and Identifiers
-
- (+)-2,2,6,7-tetramethylbicyclonona-4,9(1)dien-8-one
- (+)-2,2,6,7-tetramethylbicyclo[4.3.0]nona-4,9(1)dien-8-one
- 8-Ketone-2,4,5,7a-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol,
- 99901-22-1
- 2H-Inden-2-one, 1,4,5,7a-tetrahydro-1,4,4,7a-tetramethyl-, (1S-cis)-
- DTXSID901159229
-
- Inchi： 1S/C13H18O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-9H,6H2,1-4H3/t9-,13+/m1/s1
- InChI Key： KTDAEZJBJUWAPC-RNCFNFMXSA-N
- SMILES： O=C1C=C2C(C)(C)CC=C[C@@]2(C)[C@@H]1C
Computed Properties
- Exact Mass: 190.135765193g/mol
- Monoisotopic Mass: 190.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 346
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 17.1?2
(+)-2,2,6,7-tetramethylbicyclonona-4,9(1)dien-8-one Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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