Monomers
bis(2-methylpropyl) (Z)-2-methylbut-2-enedioate
Identifiers
IUPAC name
bis(2-methylpropyl) (Z)-2-methylbut-2-enedioate
InchI
InChI=1S/C13H22O4/c1-9(2)7-16-12(14)6-11(5)13(15)17-8-10(3)4/h6,9-10H,7-8H2,1-5H3/b11-6-
InchI Key
GSWRSQKYPYOMBE-WDZFZDKYSA-N
SMILES
CC(COC(=O)/C=C(\C(=O)OCC(C)C)/C)C
Canonical SMILES
CC(C)COC(=O)C=C(C)C(=O)OCC(C)C
Isomeric SMILES
CC(C)COC(=O)/C=C(/C)\C(=O)OCC(C)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C13H22O4
Heavy Atom Count
17
Molecular Weight
242.315
Exact Molecular Weight
242.1518
Valence Electrons
98
Radical Electrons
0
tPSA
52.6
MolLogP
2.3311
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
39 38 0 0 0 0 0 0 0 0999 V2000
4.4954 1.0109 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5483 -0.0019 -0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7406 -1.2441 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4053 -0.7930 0.0344 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3906 -1.6317 0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7003 -2.8496 0.5588 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0410 -1.1509 0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2357 0.1180 0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6430 0.5257 0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9620 1.7441 0.5468 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5934 -0.3994 1.0706 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9380 -0.0601 1.3057 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6319 0.5153 0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0665 0.8202 0.5401 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6316 -0.4321 -1.0633 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7623 1.1376 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9489 -0.4648 -0.8929 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0597 1.9928 0.1632 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4903 1.2710 0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8579 0.6420 1.3302 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1381 0.4492 -1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1707 -1.6740 0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7224 -1.9737 -1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7041 -1.8732 0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4958 -0.9537 1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0330 0.7015 2.1249 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1370 1.4522 -0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7540 0.0702 0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3848 1.8058 0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1791 0.8150 1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1950 0.0580 -1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0745 -1.3633 -0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6703 -0.7361 -1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5916 1.2298 0.8004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2038 0.9254 -0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2394 2.1324 -0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1544 -1.3624 -0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7018 0.3348 -0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9671 -0.7879 -1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 2 3
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
13 15 1 0
8 16 1 0
2 17 1 0
1 18 1 0
1 19 1 0
1 20 1 0
2 21 1 0
3 22 1 0
3 23 1 0
7 24 1 0
12 25 1 0
12 26 1 0
13 27 1 0
14 28 1 0
14 29 1 0
14 30 1 0
15 31 1 0
15 32 1 0
15 33 1 0
16 34 1 0
16 35 1 0
16 36 1 0
17 37 1 0
17 38 1 0
17 39 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers