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Home > Other Heterocycles > 24903-95-5
24903-95-5 | 6,6-dimethylbicyclo[3.1.1]heptan-2-one
CAS No: 24903-95-5 Catalog No: AG01BENU MDL No:MFCD00003566
Product Description
Catalog Number:
AG01BENU
Chemical Name:
6,6-dimethylbicyclo[3.1.1]heptan-2-one
CAS Number:
24903-95-5
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
MDL Number:
MFCD00003566
IUPAC Name:
6,6-dimethylbicyclo[3.1.1]heptan-2-one
InChI:
InChI=1S/C9H14O/c1-9(2)6-3-4-8(10)7(9)5-6/h6-7H,3-5H2,1-2H3
InChI Key:
XZFDKWMYCUEKSS-UHFFFAOYSA-N
SMILES:
O=C1CCC2CC1C2(C)C
EC Number:
246-520-3
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
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|---|---|
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| 2-Hydr-oxy-6,6-dimethyl-bicyclo-[3.1.1]heptane-2-carboxylic acid. | Acta crystallographica. Section E, Structure reports online 20091101 |
| Theoretical study of the gas-phase ozonolysis of beta-pinene (C10H16). | Physical chemistry chemical physics : PCCP 20090721 |
| Dual stereoselectivity in the dialkylzinc reaction using (-)-beta-pinene derived amino alcohol chiral auxiliaries. | The Journal of organic chemistry 20090320 |
| Time-dependent density functional calculations of optical rotatory dispersion including resonance wavelengths as a potentially useful tool for determining absolute configurations of chiral molecules. | The journal of physical chemistry. A 20060223 |
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| Atmospheric fate of OH initiated oxidation of terpenes. Reaction mechanism of alpha-pinene degradation and secondary organic aerosol formation. | Journal of environmental management 20050501 |
| A computational study of the atmospheric oxidation of nopinone. | Physical chemistry chemical physics : PCCP 20050421 |
| Metabolite fingerprinting in transgenic Nicotiana tabacum altered by the Escherichia coli glutamate dehydrogenase gene. | Journal of biomedicine & biotechnology 20050101 |
| Study of the carbonyl products of terpene/OH radical reactions: detection of the 2,4-DNPH derivatives by HPLC-MS. | Analytical and bioanalytical chemistry 20040601 |
| A practical synthesis for the core structure of a family of selective prostaglandin D2 receptor antagonists. | The Journal of organic chemistry 20030321 |
| HPLC-MS determination of the oxidation products of the reaction between alpha- and beta-pinene and OH radicals. | Analytical and bioanalytical chemistry 20020301 |
| Reactions of the alkoxy radicals formed following OH-addition to alpha-pinene and beta-pinene. C-C bond scission reactions. | Journal of the American Chemical Society 20010509 |
| Ozone removal in the sampling of parts per billion levels of terpenoid compounds: an evaluation of different scrubber materials. | Environmental science & technology 20010401 |
| A new lithium alkoxide accelerated diastereoselective cyanation of ketones. | Organic letters 20010222 |
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