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
5.2168 -1.7956 1.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4220 -0.5185 0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4987 -0.8853 -0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5971 0.1939 -0.8407 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7946 0.6447 0.2296 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3870 0.5085 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0804 -0.0364 -0.7827 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3751 0.9865 1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6381 0.9428 1.5059 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6355 0.4071 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4550 -0.1242 -0.4955 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0078 0.4593 0.9904 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9662 -0.0567 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7914 -1.5222 -0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9136 0.7014 -1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3252 0.1699 0.7912 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2667 1.3572 -1.4807 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4508 0.5224 0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0897 -1.5629 1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4807 -2.2408 0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5111 -2.4973 1.6092 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9051 -0.2559 1.7113 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9018 -1.7596 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1355 -1.3000 -1.1703 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8734 -0.2477 -1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2041 1.4602 2.1931 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0353 1.3764 2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1912 -2.0546 0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3970 -1.6642 -1.2137 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8001 -1.9846 -0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4210 1.6917 -1.0436 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9586 0.8363 -1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3173 0.0999 -1.8831 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1415 -0.2662 0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4322 1.2651 0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2292 -0.2886 1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4427 1.9504 -1.9863 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6695 2.0424 -0.7275 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9573 1.0893 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5929 0.6181 -0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2435 1.4966 0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4705 0.2414 0.8457 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