Cas no 111396-28-2 (6-Octenal, 2,7-dimethyl-)
6-Octenal, 2,7-dimethyl- structure
Product Name:6-Octenal, 2,7-dimethyl-
CAS No:111396-28-2
MF:C10H18O
MW:154.249323368073
CID:1198137
PubChem ID:10103362
Update Time:2025-04-20
6-Octenal, 2,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 6-Octenal, 2,7-dimethyl-
- 2,7-dimethyloct-6-enal
- 111396-28-2
- DTXSID60435571
- SCHEMBL9241535
- RRPLNOVWTWPBFK-UHFFFAOYSA-
- InChI=1/C10H18O/c1-9(2)6-4-5-7-10(3)8-11/h6,8,10H,4-5,7H2,1-3H3
-
- Inchi： 1S/C10H18O/c1-9(2)6-4-5-7-10(3)8-11/h6,8,10H,4-5,7H2,1-3H3
- InChI Key： RRPLNOVWTWPBFK-UHFFFAOYSA-N
- SMILES： O=CC(C)CCC/C=C(\C)/C
Computed Properties
- Exact Mass: 154.13584
- Monoisotopic Mass: 154.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 132
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
6-Octenal, 2,7-dimethyl- Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
111396-28-2 (6-Octenal, 2,7-dimethyl-) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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