Cas no 191089-67-5 (Butanoic acid,2-butene-1,4-diyl ester, (E)- (9CI))
191089-67-5 structure
Product Name:Butanoic acid,2-butene-1,4-diyl ester, (E)- (9CI)
CAS No:191089-67-5
MF:C12H20O4
MW:228.284804344177
CID:115943
PubChem ID:12071192
Update Time:2025-04-18
Butanoic acid,2-butene-1,4-diyl ester, (E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-butene-1,4-diyl ester, (E)- (9CI)
- Trans-Butanoic Acid 2-Butene-1,4-Diylester
- MFCD07368634
- [(E)-4-butanoyloxybut-2-enyl] butanoate
- cis-Butanoicacid-2-butene-1,4-diylester
- 144967-77-1
- Butanoic Acid 2-Butene-1,4-Diylester
- 2-BUTENE-1,4-DIOL DIBUTYRATE
- AKOS015914505
- B3580
- SCHEMBL8744185
- OGJKSGMVEHGEKF-AATRIKPKSA-N
- Butanoic acid, 1,1'-(2-butene-1,4-diyl) ester
- 191089-67-5
- 1572-84-5
- 2-butene-1,4-dibutyrate
- A808303
- 2-Butene-1,4-Diylbutyrate
- butanoic acid 4-(1-oxobutoxy)but-2-enyl ester
- 1,4-Bis(butyryloxy)-2-butene
- (E)-but-2-ene-1,4-diyl dibutyrate
- cis-Butanoic acid 2-butene-1,4-diyl ester
-
- MDL： MFCD07368634
- Inchi： 1S/C12H20O4/c1-3-7-11(13)15-9-5-6-10-16-12(14)8-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+
- InChI Key： OGJKSGMVEHGEKF-AATRIKPKSA-N
- SMILES： O(C/C=C/COC(CCC)=O)C(CCC)=O
Computed Properties
- Exact Mass: 228.13615911g/mol
- Monoisotopic Mass: 228.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 10
- Complexity: 209
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.60000
- LogP: 2.22920
Butanoic acid,2-butene-1,4-diyl ester, (E)- (9CI) Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
191089-67-5 (Butanoic acid,2-butene-1,4-diyl ester, (E)- (9CI)) Related Products
- 144967-77-1(cis-1,4-Dibutyryloxy-2-butene)
- 53398-83-7(trans-2-Hexenyl butyrate)
- 925-16-6(Diallyl Succinate)
- 1572-84-5(1,4-Bis(butyryloxy)-2-butene)
- 16930-93-1(Butanoic acid,2,4-hexadien-1-yl ester)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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