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
-6.1299 -0.4935 -0.7404 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7000 -0.2665 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8470 -1.4394 -0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5361 -1.2421 -0.2560 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6967 -0.1908 -0.6435 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1848 0.6346 -1.4501 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3462 -0.0779 -0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4470 0.9007 -0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8135 1.0205 0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5110 1.9845 -0.3635 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3734 0.1292 0.9093 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6726 0.2033 1.4252 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7423 0.1536 0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7010 -1.1191 -0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0880 0.1815 1.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0223 1.9345 -1.4374 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6828 -0.2300 1.2538 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7075 -0.9023 0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5505 0.4702 -1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0913 -1.2054 -1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3303 0.6919 -0.6297 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8606 -1.5992 -1.7825 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2509 -2.3272 -0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0087 -0.8314 0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8536 1.1099 2.0388 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8187 -0.6640 2.1018 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6909 1.0139 -0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9311 -2.0148 0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5147 -1.0305 -1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7561 -1.2126 -1.0211 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1128 0.9540 1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3284 -0.7832 1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9008 0.4597 0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9035 2.5080 -1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8253 2.6441 -1.6944 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2617 1.4546 -2.4067 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6277 -0.4467 1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3002 -1.0807 1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0601 0.7084 1.6554 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