Cas no 69974-54-5 (Capryl alcohol-d18)
Capryl alcohol-d18 structure
Product Name:Capryl alcohol-d18
CAS No:69974-54-5
MF:C8H18O
MW:148.338833332062
CID:2799492
Update Time:2023-08-07
Capryl alcohol-d18 Chemical and Physical Properties
Names and Identifiers
-
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecadeuterio-8-deuteriooxyoctane
- Capryl alcohol-d18
-
- Inchi： 1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D
- InChI Key： KBPLFHHGFOOTCA-PBYHGZINSA-N
- SMILES： O([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 6
- Complexity: 43.8
- XLogP3: 3
- Topological Polar Surface Area: 20.2
Experimental Properties
- Density: 0.940?g/mL?at 25?°C
- Melting Point: -15?°C(lit.)
- Boiling Point: 196?°C(lit.)
Capryl alcohol-d18 Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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