Monomers
dipropan-2-yl (E)-2-methylbut-2-enedioate
Identifiers
IUPAC name
dipropan-2-yl (E)-2-methylbut-2-enedioate
InchI
InChI=1S/C11H18O4/c1-7(2)14-10(12)6-9(5)11(13)15-8(3)4/h6-8H,1-5H3/b9-6+
InchI Key
VRYFKXTUNIJKBV-RMKNXTFCSA-N
SMILES
CC(OC(=O)/C=C(/C(=O)OC(C)C)\C)C
Canonical SMILES
CC(C)OC(=O)C=C(C)C(=O)OC(C)C
Isomeric SMILES
CC(C)OC(=O)/C=C(\C)/C(=O)OC(C)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H18O4
Heavy Atom Count
15
Molecular Weight
214.261
Exact Molecular Weight
214.1205
Valence Electrons
86
Radical Electrons
0
tPSA
52.6
MolLogP
1.8359
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
33 32 0 0 0 0 0 0 0 0999 V2000
-4.4704 0.8453 1.3623 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9801 0.5263 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5736 0.4625 -0.1100 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8443 1.2709 -0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5444 2.0475 -1.6911 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3986 1.2205 -1.0932 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3715 0.4395 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8184 0.4533 -0.5623 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3890 1.2296 -1.3951 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6512 -0.3732 0.1731 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0421 -0.3900 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7564 0.0577 1.3008 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5749 -1.7034 -0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2120 -0.4889 0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5292 -0.8368 -0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5064 0.4006 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8695 0.3704 2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6169 1.9376 1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4178 1.2707 -0.7209 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0617 1.8956 -1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2981 0.3766 -0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2037 -0.7646 1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6018 0.7616 1.0528 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0387 0.6585 1.8998 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3515 -1.7631 -1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6804 -1.6885 -0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2085 -2.5754 0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9523 -1.1956 0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7786 0.1134 1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5699 -1.0777 1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5214 -1.4385 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8339 -1.2771 -1.1244 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5682 -0.7655 -0.7955 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 2 0
4 6 1 0
6 7 2 3
7 8 1 0
8 9 2 0
8 10 1 0
10 11 1 0
11 12 1 0
11 13 1 0
7 14 1 0
2 15 1 0
1 16 1 0
1 17 1 0
1 18 1 0
2 19 1 0
6 20 1 0
11 21 1 0
12 22 1 0
12 23 1 0
12 24 1 0
13 25 1 0
13 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
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers