Cas no 13643-05-5 (1,2-Pentadiene,4-methyl-)
1,2-Pentadiene,4-methyl- structure
Product Name:1,2-Pentadiene,4-methyl-
1,2-Pentadiene,4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Pentadiene,4-methyl-
- 4-methylpenta-1,2-diene
- 4-Methyl-1,2-pentadiene
- CH2=C=CHCH(CH3)2
- 1,2-Pentadiene, 4-methyl-
- 13643-05-5
- InChI=1/C6H10/c1-4-5-6(2)3/h5-6H,1H2,2-3H
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- Inchi: 1S/C6H10/c1-4-5-6(2)3/h5-6H,1H2,2-3H3
- InChI Key: CAAAXQFHDYHTTC-UHFFFAOYSA-N
- SMILES: C(C=C=C)(C)C
Computed Properties
- Exact Mass: 82.0783
- Monoisotopic Mass: 82.078
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 6
- Rotatable Bond Count: 1
- Complexity: 64.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 0?2
Experimental Properties
- Density: 0.674
- Melting Point: -94.9°C (estimate)
- Boiling Point: 67.2°Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.4
- PSA: 0
1,2-Pentadiene,4-methyl- Related Literature
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1. 802. Allenes. Part VII. The synthesis of iodoallenes and iodoacetylenesC. S. L. Baker,Phyllis D. Landor,S. R. Landor,A. N. Patel J. Chem. Soc. 1965 4348
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2. Allenes. Part XI. The preparation of 3-alkyl- and 3,3-dialkyl-1-bromoallenesS. R. Landor,A. N. Patel,P. F. Whiter,P. M. Greaves J. Chem. Soc. C 1966 1223
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3. Heterogeneous catalytic hydrogenation of allenes over supported palladium: selectivity, stereoselectivity, and regioselectivityLeslie Crombie,Peter A. Jenkins,David A. Mitchard J. Chem. Soc. Perkin Trans. 1 1975 1081
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P. M. Greaves,S. R. Landor,D. R. J. Laws J. Chem. Soc. C 1968 291
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5. The chemistry of hop constituents. Part XXIX. A synthesis of (±)-isohumuloneP. R. Ashurst,D. R. J. Laws J. Chem. Soc. C 1966 1615
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