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
4.6238 1.6681 -1.4739 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0734 0.5384 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4482 0.8076 0.7911 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0866 0.8779 0.8851 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0936 -0.0164 0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3916 -1.1802 0.3636 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6659 0.2915 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2725 -0.6012 0.6499 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6707 -0.2125 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9284 0.9855 1.1589 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6595 -1.1242 0.6252 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0081 -0.9419 0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7412 -0.0954 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2344 -0.1370 0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3130 1.3036 -0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0350 -1.9900 0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7748 -0.7600 -1.1866 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6371 1.3599 -1.8841 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3868 1.8266 -2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5679 2.5783 -0.8539 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2056 0.6453 -0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8487 1.8212 1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9173 0.1071 1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4336 1.3160 1.1328 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4689 -1.9912 0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2980 -0.6521 1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7560 -0.5930 -1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4981 -1.2061 0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8250 0.4596 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3185 0.2245 1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0997 1.8453 -1.1085 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3823 1.4478 -1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3122 1.8980 0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5378 -2.0679 -0.7342 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6151 -2.5150 1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8934 -2.5914 0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8684 -0.7388 -1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8632 -1.6494 -0.5381 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6058 -0.9384 -1.9593 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