Cas no 623-89-2 (Bis(2-methylbutyl) Butanedioate)
623-89-2 structure
Product Name:Bis(2-methylbutyl) Butanedioate
CAS No:623-89-2
MF:C14H26O4
MW:258.353845119476
CID:1637604
PubChem ID:243682
Update Time:2025-04-21
Bis(2-methylbutyl) Butanedioate Chemical and Physical Properties
Names and Identifiers
-
- Bis(2-methylbutyl) Butanedioate
- Di(2-methylbutyl) succinate
- NSC53812
- AC1L6C3M
- AC1Q62UE
- CTK5B5006
- AR-1I3709
- NSC-53812
- AG-J-56748
- Di(2-methylbutyl) succinate; NSC53812; AC1L6C3M; AC1Q62UE; CTK5B5006; AR-1I3709; NSC-53812; AG-J-56748;
- Succinic acid, di(2-methylbutyl) ester
- ZJVNYQFZJFPWOJ-UHFFFAOYSA-N
- DTXSID70288010
- SCHEMBL14672451
- DS-010529
- 623-89-2
-
- Inchi： 1S/C14H26O4/c1-5-11(3)9-17-13(15)7-8-14(16)18-10-12(4)6-2/h11-12H,5-10H2,1-4H3
- InChI Key： ZJVNYQFZJFPWOJ-UHFFFAOYSA-N
- SMILES： O(C(CCC(=O)OCC(C)CC)=O)CC(C)CC
Computed Properties
- Exact Mass: 258.18300
- Monoisotopic Mass: 258.18310931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 11
- Complexity: 224
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.60000
- LogP: 2.94520
Bis(2-methylbutyl) Butanedioate Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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