Cas no 6624-62-0 (Butanedioic acid,1,4-di-4-penten-1-yl ester)
6624-62-0 structure
Product Name:Butanedioic acid,1,4-di-4-penten-1-yl ester
CAS No:6624-62-0
MF:C14H22O4
MW:254.322084903717
CID:512758
PubChem ID:243680
Update Time:2025-04-19
Butanedioic acid,1,4-di-4-penten-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,1,4-di-4-penten-1-yl ester
- bis(pent-4-enyl) butanedioate
- dipent-4-enyl butanedioate
- AC1Q66PX
- AR-1I5988
- CTK5C3810
- dipent-4-en-1-yl butanedioate
- NSC53809
- NSC-53809
- 6624-62-0
- Succinic acid, di(pent-4-enyl) ester
- SCHEMBL23797438
- LYTLDAKHQAIDJL-UHFFFAOYSA-N
- DTXSID00288008
-
- Inchi: 1S/C14H22O4/c1-3-5-7-11-17-13(15)9-10-14(16)18-12-8-6-4-2/h3-4H,1-2,5-12H2
- InChI Key: LYTLDAKHQAIDJL-UHFFFAOYSA-N
- SMILES: O(C(CCC(=O)OCCCC=C)=O)CCCC=C
Computed Properties
- Exact Mass: 254.15186
- Monoisotopic Mass: 254.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 13
- Complexity: 243
- 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: 3.3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 0.99
- Boiling Point: 277.7°C at 760 mmHg
- Flash Point: 122°C
- Refractive Index: 1.456
- PSA: 52.6
- LogP: 2.78540
Butanedioic acid,1,4-di-4-penten-1-yl ester Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
6624-62-0 (Butanedioic acid,1,4-di-4-penten-1-yl ester) Related Products
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