Cas no 51776-69-3 (2-Heptanol, 6-ethoxy-6-methyl-)
51776-69-3 structure
Product Name:2-Heptanol, 6-ethoxy-6-methyl-
CAS No:51776-69-3
MF:C10H22O2
MW:174.280483722687
CID:361425
PubChem ID:22749829
Update Time:2025-04-19
2-Heptanol, 6-ethoxy-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Heptanol, 6-ethoxy-6-methyl-
- 6-ethoxy-6-methylheptan-2-ol
- SCHEMBL11546732
- 51776-69-3
- 6-ethoxy-6-methyl-2-heptanol
- WMMYFGOYGGLVIN-UHFFFAOYSA-N
- DTXSID90628050
-
- Inchi： 1S/C10H22O2/c1-5-12-10(3,4)8-6-7-9(2)11/h9,11H,5-8H2,1-4H3
- InChI Key： WMMYFGOYGGLVIN-UHFFFAOYSA-N
- SMILES： O(CC)C(C)(C)CCCC(C)O
Computed Properties
- Exact Mass: 174.16206
- Monoisotopic Mass: 174.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 110
- 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: 1.9
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
2-Heptanol, 6-ethoxy-6-methyl- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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