Cas no 78775-64-1 (Diethyl (1-methylcyclohexyl)propanedioate)
78775-64-1 structure
Product Name:Diethyl (1-methylcyclohexyl)propanedioate
CAS No:78775-64-1
MF:C14H24O4
MW:256.337965011597
CID:2802170
PubChem ID:12673896
Update Time:2025-04-21
Diethyl (1-methylcyclohexyl)propanedioate Chemical and Physical Properties
Names and Identifiers
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- 78775-64-1
- Diethyl (1-methylcyclohexyl)propanedioate
- DTXSID30506449
- SCHEMBL7207337
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- Inchi： 1S/C14H24O4/c1-4-17-12(15)11(13(16)18-5-2)14(3)9-7-6-8-10-14/h11H,4-10H2,1-3H3
- InChI Key： RGSFCIKIOHNREA-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)C1(C)CCCCC1)=O
Computed Properties
- Exact Mass: 256.16745924Da
- Monoisotopic Mass: 256.16745924Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 274
- 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: 4
- Topological Polar Surface Area: 52.6?2
Diethyl (1-methylcyclohexyl)propanedioate Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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