Cas no 61635-55-0 (Dodecanedioic acid,1,12-bis(1-methylethyl) ester)
61635-55-0 structure
Product Name:Dodecanedioic acid,1,12-bis(1-methylethyl) ester
CAS No:61635-55-0
MF:C18H34O4
MW:314.460166454315
CID:518738
PubChem ID:3017273
Update Time:2025-04-19
Dodecanedioic acid,1,12-bis(1-methylethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Dodecanedioic acid,1,12-bis(1-methylethyl) ester
- diisopropyl dodecanedioate
- dipropan-2-yl dodecanedioate
- bis(1-methylethyl) dodecanedioate
-
- Inchi： 1S/C18H34O4/c1-15(2)21-17(19)13-11-9-7-5-6-8-10-12-14-18(20)22-16(3)4/h15-16H,5-14H2,1-4H3
- InChI Key： VDAKTNSFAPXQKN-UHFFFAOYSA-N
- SMILES： O(C(C)C)C(CCCCCCCCCCC(=O)OC(C)C)=O
Computed Properties
- Exact Mass: 314.24582
- Monoisotopic Mass: 314.24570956g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 15
- Complexity: 268
- 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: 5.4
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Dodecanedioic acid,1,12-bis(1-methylethyl) ester Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
61635-55-0 (Dodecanedioic acid,1,12-bis(1-methylethyl) ester) Related Products
- 110-38-3(Ethyl decanoate)
- 110-40-7(Diethyl decanedioate)
- 104-50-7(4-Octanolide)
- 104-67-6(4-Undecanolide)
- 106-32-1(Ethyl n-Caprylate)
- 106-02-5(ω-Pentadecalactone)
- 106-30-9(Ethyl Heptanoate(Heptanoic Acid Ethyl Ester))
- 106-33-2(Ethyl Laurate(Ethyl Dodecanoate))
- 109-43-3(dibutyl sebacate)
- 123-29-5(Ethyl nonanoate)
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