Cas no 74897-69-1 (2-Butanone,1-cyclohexyl-3-ethoxy-)
74897-69-1 structure
Product Name:2-Butanone,1-cyclohexyl-3-ethoxy-
CAS No:74897-69-1
MF:C12H22O2
MW:198.301884174347
CID:557279
PubChem ID:552107
Update Time:2025-04-19
2-Butanone,1-cyclohexyl-3-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone,1-cyclohexyl-3-ethoxy-
- 1-Cyclohexyl-3-ethoxy-2-butanone
- 1-cyclohexyl-3-ethoxybutan-2-one
- OSUQBOYBODOLJQ-UHFFFAOYSA-N
- 74897-69-1
- DTXSID70338943
- 1-Cyclohexyl-3-ethoxy-butan-2-one
- 1-Cyclohexyl-3-ethoxy-2-butanone #
-
- Inchi： 1S/C12H22O2/c1-3-14-10(2)12(13)9-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3
- InChI Key： OSUQBOYBODOLJQ-UHFFFAOYSA-N
- SMILES： O(CC)C(C)C(CC1CCCCC1)=O
Computed Properties
- Exact Mass: 198.161979940g/mol
- Monoisotopic Mass: 198.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 171
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 3.3
- Topological Polar Surface Area: 26.3?2
2-Butanone,1-cyclohexyl-3-ethoxy- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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