Cas no 30567-26-1 (2-Heptenal, 2-methyl-)
2-Heptenal, 2-methyl- structure
Product Name:2-Heptenal, 2-methyl-
CAS No:30567-26-1
MF:C8H14O
MW:126.196162700653
CID:1443554
PubChem ID:534702
Update Time:2025-04-20
2-Heptenal, 2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptenal, 2-methyl-
- 2-methylhept-2-enal
- DTXSID00952858
- 30567-26-1
- 2-Methyl -2-heptenal
- DB-303405
-
- Inchi： 1S/C8H14O/c1-3-4-5-6-8(2)7-9/h6-7H,3-5H2,1-2H3
- InChI Key： IGNVJMUTQIKSHB-UHFFFAOYSA-N
- SMILES： O=CC(C)=CCCCC
Computed Properties
- Exact Mass: 126.10452
- Monoisotopic Mass: 126.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 103
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.8654 (estimate)
- Melting Point: 3.5°C (estimate)
- Boiling Point: 184.35°C (estimate)
- Refractive Index: 1.4353 (estimate)
- PSA: 17.07
2-Heptenal, 2-methyl- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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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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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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