Monomers
dicyclopentyl (E)-but-2-enedioate
Identifiers
IUPAC name
dicyclopentyl (E)-but-2-enedioate
InchI
InChI=1S/C14H20O4/c15-13(17-11-5-1-2-6-11)9-10-14(16)18-12-7-3-4-8-12/h9-12H,1-8H2/b10-9+
InchI Key
SIISCSYILCBRQH-MDZDMXLPSA-N
SMILES
O=C(OC1CCCC1)/C=C/C(=O)OC1CCCC1
Canonical SMILES
C1CCC(C1)OC(=O)C=CC(=O)OC2CCCC2
Isomeric SMILES
C1CCC(C1)OC(=O)/C=C/C(=O)OC2CCCC2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C14H20O4
Heavy Atom Count
18
Molecular Weight
252.31
Exact Molecular Weight
252.1362
Valence Electrons
100
Radical Electrons
0
tPSA
52.6
MolLogP
2.5142
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
2
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
2
Aromatic Rings
0
MOL File
RDKit 3D
38 39 0 0 0 0 0 0 0 0999 V2000
-1.3940 0.0894 1.4366 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7286 0.7257 0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9021 1.4215 0.3353 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7214 1.3904 1.5043 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1306 1.0317 1.2721 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9506 2.0695 1.9903 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1128 3.3070 1.9606 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6952 2.8273 2.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7543 0.6446 -0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3432 -0.0135 -0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5156 -0.7112 -0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7911 -1.3188 0.6898 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5599 -0.9444 -1.3447 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7251 -1.6864 -1.0681 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8256 -2.9043 -1.9781 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2522 -3.3352 -1.7272 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0080 -2.0851 -1.3302 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9808 -0.9574 -1.4123 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2824 0.7088 2.2812 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4119 0.0450 1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4337 0.9807 0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2335 1.7636 3.0257 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9071 2.2770 1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3440 3.9816 2.8395 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2993 3.8967 1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9756 3.4636 1.4893 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3809 2.7622 3.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0715 1.1742 -1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6270 0.3447 -1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7504 -2.0392 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0873 -3.6736 -1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7943 -2.5476 -3.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2404 -4.0155 -0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6990 -3.8145 -2.6246 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4221 -2.1209 -0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8022 -1.9350 -2.1053 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9998 -0.6172 -2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3054 -0.1853 -0.7212 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
2 9 1 0
9 10 2 3
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
8 4 1 0
18 14 1 0
4 19 1 0
5 20 1 0
5 21 1 0
6 22 1 0
6 23 1 0
7 24 1 0
7 25 1 0
8 26 1 0
8 27 1 0
9 28 1 0
10 29 1 0
14 30 1 0
15 31 1 0
15 32 1 0
16 33 1 0
16 34 1 0
17 35 1 0
17 36 1 0
18 37 1 0
18 38 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers