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
-6.4069 -1.0259 -0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0758 -0.5227 -0.7603 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0551 -0.7110 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7911 -0.2446 -0.1175 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6652 -0.2990 0.6877 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8210 -0.7863 1.8394 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4023 0.1949 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7183 0.1838 0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9414 0.7084 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8684 1.1501 -0.9195 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1424 0.7485 0.8596 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3964 1.1448 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2184 0.4832 -0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6466 0.5246 -1.8352 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6537 -0.9222 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7133 -0.3549 2.2378 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2267 0.9248 -1.1401 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0970 -1.0391 -1.1223 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2762 -2.0217 0.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7967 -0.3146 0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7572 -1.1455 -1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3421 -0.2261 1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9457 -1.7919 0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4223 0.5947 -0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9844 1.1566 1.5433 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4580 2.2709 0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1879 1.0821 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8670 -0.2365 -1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2325 1.5265 -2.0385 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4567 0.3300 -2.6088 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7452 -1.4963 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8763 -1.3184 0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6178 -0.8915 0.4768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3787 -1.4089 2.2355 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7318 -0.3313 2.7004 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 0.2011 2.9031 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8046 1.0045 -2.0779 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7083 1.4512 -0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2305 1.4078 -1.3410 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