Cas no 7779-07-9 (Octanal, 2,6-dimethyl-)
Octanal, 2,6-dimethyl- structure
Product Name:Octanal, 2,6-dimethyl-
CAS No:7779-07-9
MF:C10H20O
MW:156.265203475952
CID:983813
PubChem ID:5463910
Update Time:2025-04-20
Octanal, 2,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Octanal, 2,6-dimethyl-
- Octanal, 2,6-dimethyl-; AC1Q2S8S; AC1NUYQD; 2-6-dimethyloctanal; Dihydrocitronellal; 2,6-dimethyl-octanal; FEMA No. 2390; CTK2H7943; UNII-N4726GT28P; AG-H-11598;
- FEMA No. 2390
- 7779-07-9
- 2,6-dimethyl-octanal
- (+/-)-2,6-DIMETHYLOCTANAL
- 2,6-DIMETHYLOCTANAL[FHFI]
- NS00120620
- 2,6-DIMETHYLOCTANAL, (+/-)-
- 2,6-Dimethyloctanal
- DTXSID20864121
- UNII-N4726GT28P
- Q27284536
- 2,6-dimethyl octanal
- N4726GT28P
- SCHEMBL28439
- DB-288231
- CBOBADCVMLMQRW-UHFFFAOYSA-N
-
- Inchi： 1S/C10H20O/c1-4-9(2)6-5-7-10(3)8-11/h8-10H,4-7H2,1-3H3
- InChI Key： CBOBADCVMLMQRW-UHFFFAOYSA-N
- SMILES： O=CC(C)CCCC(C)CC
Computed Properties
- Exact Mass: 156.1515
- Monoisotopic Mass: 156.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 99
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
- FEMA: 2390
Octanal, 2,6-dimethyl- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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