Cas no 66113-31-3 ((2E)-3,7-dimethyloct-2-ene-1,8-diol)
66113-31-3 structure
Product Name:(2E)-3,7-dimethyloct-2-ene-1,8-diol
CAS No:66113-31-3
MF:C10H20O2
MW:172.264603614807
CID:1702896
PubChem ID:6442639
Update Time:2025-04-21
(2E)-3,7-dimethyloct-2-ene-1,8-diol Chemical and Physical Properties
Names and Identifiers
-
- (2E)-3,7-dimethyloct-2-ene-1,8-diol
- (E)-3,7-dimethyloct-2-ene-1,8-diol
- 2-Octene-1,8-diol, 3,7-dimethyl-, (E)-
- SCHEMBL1302183
- (e)-3,7-dimethyl-2-octene-1,8-diol
- 66113-31-3
- SCHEMBL1302478
- e-3,7-dimethyl-2-octen-1,8-diol
-
- Inchi： 1S/C10H20O2/c1-9(6-7-11)4-3-5-10(2)8-12/h6,10-12H,3-5,7-8H2,1-2H3/b9-6+
- InChI Key： ODQHVONZJQWKCN-RMKNXTFCSA-N
- SMILES： OCC(C)CCC/C(=C/CO)/C
Computed Properties
- Exact Mass: 172.1464
- Monoisotopic Mass: 172.14633
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 130
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5
- XLogP3: 1.9
Experimental Properties
- Density: 0.944
- Boiling Point: 275.6°C at 760 mmHg
- Flash Point: 124.2°C
- Refractive Index: 1.474
- PSA: 40.46
(2E)-3,7-dimethyloct-2-ene-1,8-diol Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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