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
-4.3560 0.6809 -1.9935 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7395 -0.3493 -0.9382 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7056 -1.4044 -0.8939 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4095 -1.0624 -0.6231 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7964 -0.5570 0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4937 -0.3423 1.4922 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3527 -0.2698 0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2156 0.2175 1.5382 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6445 0.5067 1.5452 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2143 0.9779 2.5695 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4671 0.2907 0.4513 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8488 0.5692 0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5233 0.2551 -0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9923 0.5987 -0.6958 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3304 -1.1709 -1.2814 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5556 0.4904 2.7659 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1403 0.2510 0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3622 1.1240 -1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3036 0.1310 -2.9615 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1256 1.4754 -2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6902 -0.8368 -1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7180 -1.9916 -1.8765 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0373 -2.1959 -0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2141 -0.4716 -0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 1.6594 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3963 0.0630 1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1393 0.8999 -1.6721 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1037 1.7071 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6153 0.1351 -1.4835 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2950 0.2562 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2555 -1.3252 -1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8982 -1.3462 -2.2033 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6887 -1.8876 -0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3188 1.2861 2.6504 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9728 -0.4336 3.2395 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1312 0.9015 3.5647 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1088 -0.4831 1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5167 1.1232 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2240 0.5934 0.2984 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