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
3.4158 0.6186 -4.2133 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4804 1.6253 -3.0984 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2275 1.5744 -2.2666 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0596 0.3112 -1.7031 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9395 0.0646 -0.8814 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1759 1.0290 -0.7266 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7224 -1.2148 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2154 -1.6368 0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3473 -0.8981 0.9645 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6252 0.2910 0.7239 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3108 -1.5076 1.8121 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4259 -0.8495 2.3112 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1895 0.3390 3.1641 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5715 0.8694 3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4687 0.0234 4.4523 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0993 -3.0881 0.9276 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7123 1.2704 -2.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4478 0.2241 -4.4272 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0773 1.1622 -5.1276 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6988 -0.1981 -4.0347 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6091 2.6513 -3.5069 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3890 1.8432 -2.9716 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2242 2.3487 -1.4827 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5138 -1.9782 -0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1571 -0.5624 1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9855 -1.6086 2.9318 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7012 1.1583 2.5987 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1467 1.0336 2.6331 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0433 0.1120 4.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4538 1.7984 4.1325 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0217 0.9628 4.8346 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6716 -0.7354 4.3183 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1642 -0.3343 5.2417 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9301 -3.4326 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7005 -3.7302 0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4751 -3.1781 1.9672 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7226 1.8162 -1.3041 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5836 1.6408 -2.8726 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8444 0.1852 -2.1783 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