Cas no 92867-45-3 ( )
structure
Product Name:
CAS No:92867-45-3
MF:C15H32O2
MW:244.413385391235
CID:999039
PubChem ID:348812
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 1,1-dibutoxyheptane
- NSC-408293
- NSC408293
- 92867-45-3
- SCHEMBL9809154
- DTXSID30325036
-
-
- Inchi： 1S/C15H32O2/c1-4-7-10-11-12-15(16-13-8-5-2)17-14-9-6-3/h15H,4-14H2,1-3H3
- InChI Key： AMSWIMWRNMWSRJ-UHFFFAOYSA-N
- SMILES： O(CCCC)C(CCCCCC)OCCCC
Computed Properties
- Exact Mass: 244.24
- Monoisotopic Mass: 244.24
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 13
- Complexity: 127
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.5
- Topological Polar Surface Area: 18.5?2
Experimental Properties
- Density: 0.845
- Boiling Point: 244.7°C at 760 mmHg
- Flash Point: 53.3°C
- Refractive Index: 1.431
Related Literature
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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