Monomers
2-Propenoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester
Identifiers
IUPAC name
(5-methyl-2-propan-2-ylcyclohexyl) prop-2-enoate
InchI
InChI=1S/C13H22O2/c1-5-13(14)15-12-8-10(4)6-7-11(12)9(2)3/h5,9-12H,1,6-8H2,2-4H3
InchI Key
XJBRSZAYOKVFRH-UHFFFAOYSA-N
SMILES
C=CC(=O)OC1CC(C)CCC1C(C)C
Canonical SMILES
CC1CCC(C(C1)OC(=O)C=C)C(C)C
Isomeric SMILES
CC1CCC(C(C1)OC(=O)C=C)C(C)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C13H22O2
Heavy Atom Count
15
Molecular Weight
210.317
Exact Molecular Weight
210.162
Valence Electrons
86
Radical Electrons
0
tPSA
26.3
MolLogP
3.1764
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
37 37 0 0 0 0 0 0 0 0999 V2000
4.8018 -1.3228 1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9641 -1.0631 0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6616 -0.4621 0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3542 -0.1968 1.7441 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7599 -0.1774 -0.4310 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4712 0.4118 -0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3340 1.7033 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0668 2.1709 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2015 3.6537 -0.8667 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0062 1.3495 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8971 -0.0796 -0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5230 -0.6444 -0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5411 -1.7453 0.4254 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5444 -2.8253 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0144 -1.2930 1.7785 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7536 -1.7623 1.0203 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5395 -1.0961 2.2489 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2346 -1.2937 -0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3728 0.5622 0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8230 1.6107 -1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8663 2.4840 -0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3762 2.0345 -2.2152 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7986 3.9261 0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2638 3.9531 -1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6049 4.1724 -1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0714 1.6335 -0.4581 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8068 1.3635 0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7091 -0.6591 -0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0606 -0.0180 -1.9479 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1241 -1.0959 -1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4257 -2.2408 0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1980 -3.8008 0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5323 -2.9122 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5519 -2.5515 0.3544 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0144 -0.8086 1.7403 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1944 -2.2421 2.3663 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2615 -0.7383 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
8 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
13 15 1 0
12 6 1 0
1 16 1 0
1 17 1 0
2 18 1 0
6 19 1 0
7 20 1 0
7 21 1 0
8 22 1 0
9 23 1 0
9 24 1 0
9 25 1 0
10 26 1 0
10 27 1 0
11 28 1 0
11 29 1 0
12 30 1 0
13 31 1 0
14 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
15 37 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers