Cas no 97890-09-0 (1,1-Diethoxy-7-methoxy-3,7-dimethyloctane)
97890-09-0 structure
Product Name:1,1-Diethoxy-7-methoxy-3,7-dimethyloctane
CAS No:97890-09-0
MF:C15H32O3
MW:260.41278553009
CID:819626
PubChem ID:113461
Update Time:2025-04-19
1,1-Diethoxy-7-methoxy-3,7-dimethyloctane Chemical and Physical Properties
Names and Identifiers
-
- 1,1-Diethoxy-7-methoxy-3,7-dimethyloctane
- EINECS 308-188-9
- NS00066507
- DTXSID50913555
- 97890-09-0
-
- Inchi： 1S/C15H32O3/c1-7-17-14(18-8-2)12-13(3)10-9-11-15(4,5)16-6/h13-14H,7-12H2,1-6H3
- InChI Key： COYJTQAUBRDBJL-UHFFFAOYSA-N
- SMILES： O(C)C(C)(C)CCCC(C)CC(OCC)OCC
Computed Properties
- Exact Mass: 260.235
- Monoisotopic Mass: 260.235
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 11
- Complexity: 186
- 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: nothing
- XLogP3: 3.7
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- Density: 0.879
- Boiling Point: 308.2°Cat760mmHg
- Flash Point: 116.7°C
- Refractive Index: 1.431
1,1-Diethoxy-7-methoxy-3,7-dimethyloctane Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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