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
3.6165 -0.0715 2.8938 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8368 -0.0879 1.5929 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7896 0.0944 0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0788 0.0661 -0.6166 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4626 0.3022 0.9283 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4334 0.4810 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1995 1.8391 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5492 1.9319 -0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1224 3.2975 -0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4314 0.8298 0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8493 -0.4671 -0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5136 -0.6607 0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1201 -1.8900 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4406 -1.7383 -1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7659 -3.1000 -0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6075 0.0852 3.2409 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3840 -0.2054 3.6364 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8556 -0.2466 1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9121 0.4188 -1.0211 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4674 2.5553 -0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2833 2.1935 1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5368 1.7331 -1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2947 3.9927 -0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7243 3.2402 0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7135 3.6271 -1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3535 0.8371 1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4770 0.9486 -0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5067 -1.2946 -0.1966 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7721 -0.3585 -1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6802 -0.9108 1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0446 -2.0935 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5451 -1.6998 -2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0041 -2.5731 -2.5448 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0477 -0.8090 -2.4005 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1865 -3.9875 -0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0117 -3.2340 0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6751 -3.0453 -0.9432 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