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
6.8143 -0.5411 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5249 0.1342 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3223 -0.6036 -0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1624 0.0798 0.1730 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9261 -0.3955 -0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8880 -1.4356 -0.8873 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6850 0.2721 0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5093 -0.1561 -0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7282 0.5580 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6749 1.6124 0.8518 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9850 0.1085 -0.2033 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1281 0.8248 0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3998 0.1827 -0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5910 0.9964 0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5806 -1.2136 0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6380 -1.3831 -1.0157 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4520 1.5676 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6442 -1.1865 -0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6157 0.2015 -0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1921 -1.1867 0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4013 0.1436 1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2805 -1.6197 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4701 -0.6568 -1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7861 1.1896 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0656 1.8236 -0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2031 0.9514 1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3626 0.1842 -1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9034 0.6266 1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4116 0.8046 -0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3138 2.0652 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9089 -1.0663 1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4428 -1.6606 -0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6756 -1.8197 0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2456 -2.2698 -0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7159 -1.6159 -1.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1449 -1.3305 -2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1830 1.6323 -1.1858 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7933 2.1908 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4876 1.9910 -0.0136 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