Monomers
4-O-tert-butyl 1-O-(4-methylpentan-2-yl) (E)-but-2-enedioate
Identifiers
IUPAC name
4-O-tert-butyl 1-O-(4-methylpentan-2-yl) (E)-but-2-enedioate
InchI
InChI=1S/C14H24O4/c1-10(2)9-11(3)17-12(15)7-8-13(16)18-14(4,5)6/h7-8,10-11H,9H2,1-6H3/b8-7+
InchI Key
HEPFHBJGARGNQG-BQYQJAHWSA-N
SMILES
CC(CC(OC(=O)/C=C/C(=O)OC(C)(C)C)C)C
Canonical SMILES
CC(C)CC(C)OC(=O)C=CC(=O)OC(C)(C)C
Isomeric SMILES
CC(C)CC(C)OC(=O)/C=C/C(=O)OC(C)(C)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C14H24O4
Heavy Atom Count
18
Molecular Weight
256.342
Exact Molecular Weight
256.1675
Valence Electrons
104
Radical Electrons
0
tPSA
52.6
MolLogP
2.8621
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
42 41 0 0 0 0 0 0 0 0999 V2000
-5.8717 -1.7792 1.1452 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0793 -0.5665 0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5880 -0.7814 0.9123 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8704 0.4504 0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4690 0.3569 0.6069 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5887 0.4420 -0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0966 0.6095 -1.5987 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8546 0.3448 -0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6265 0.4353 -1.3629 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0859 0.3467 -1.2753 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8049 0.4349 -2.2995 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7157 0.1622 -0.0537 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1111 0.0679 0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8477 1.2941 -0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6868 -1.1188 -0.6342 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3735 -0.0989 1.6087 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4424 1.6427 1.1876 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3101 -0.2818 -0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2691 -2.6904 1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7636 -1.8289 0.4597 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2816 -1.6553 2.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4426 0.3176 1.2596 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2424 -1.7145 0.4678 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4649 -0.8853 2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0705 0.5945 -0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3341 0.2016 0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1851 0.5786 -2.3325 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8856 0.9848 -0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3851 1.7861 -1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9306 1.9965 0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2792 -0.8048 -1.5108 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3575 -1.7093 0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8719 -1.7586 -0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1217 0.8866 2.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6765 -0.8708 2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4315 -0.3431 1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1857 2.1395 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8759 1.2818 2.1402 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5670 2.3144 1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3934 0.7888 -1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2267 -0.8340 -1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4661 -0.7367 -1.3341 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 1 0
6 7 2 0
6 8 1 0
8 9 2 3
9 10 1 0
10 11 2 0
10 12 1 0
12 13 1 0
13 14 1 0
13 15 1 0
13 16 1 0
4 17 1 0
2 18 1 0
1 19 1 0
1 20 1 0
1 21 1 0
2 22 1 0
3 23 1 0
3 24 1 0
4 25 1 0
8 26 1 0
9 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
18 40 1 0
18 41 1 0
18 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers