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
-6.2157 0.0418 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8397 -0.1393 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9631 -0.7742 -1.4901 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6594 -1.0188 -1.0743 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -0.0566 -0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1674 1.1270 -0.6321 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 -0.4654 -0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4472 0.4085 0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7720 -0.0571 0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0311 -1.2784 0.5009 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6952 0.8211 0.9960 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9860 0.5839 1.3869 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9143 0.2059 0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6910 -1.0131 -0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3269 0.2100 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1469 1.8501 0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9836 -1.0277 0.7689 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4598 -0.9640 -1.5474 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0489 0.7144 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9712 0.3830 -0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5044 0.8766 -0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4260 -1.7634 -1.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0469 -0.1679 -2.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1692 -1.5273 -0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4137 1.5440 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0259 -0.1428 2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9525 1.0671 -0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9248 -0.9374 -1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5348 -1.9229 0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6939 -1.1799 -1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5416 -0.7527 1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3504 1.0723 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0652 0.3958 0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6989 1.9929 0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0092 2.4276 0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1562 2.2783 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8000 -2.0788 0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2328 -0.7718 1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9806 -0.8831 1.2576 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