Cas no 92155-95-8 ( )
structure
Product Name:
CAS No:92155-95-8
MF:C13H24O4
MW:244.327264785767
CID:882512
PubChem ID:276518
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- DIETHYL (2-METHYLPENTYL)MALONATE
- diethyl 2-(2-methylpentyl)propanedioate
- DIETHYL (2-METHYLPENTYL)-MALONATE
- diethyl(2-methylpentyl)propanedioate
- AKOS017547696
- DTXSID00298607
- NSC124617
- 92155-95-8
- NSC-124617
- Diethyl 2-(2-methylpentyl)malonate
-
-
- Inchi： 1S/C13H24O4/c1-5-8-10(4)9-11(12(14)16-6-2)13(15)17-7-3/h10-11H,5-9H2,1-4H3
- InChI Key： GSEKUTHOMWBXQU-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)CC(C)CCC)=O
Computed Properties
- Exact Mass: 244.167
- Monoisotopic Mass: 244.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 10
- Complexity: 220
- 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: 3.7
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 0.974
- Boiling Point: 267°C at 760 mmHg
- Flash Point: 116.3°C
- Refractive Index: 1.437
Related Literature
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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