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
4.0503 -1.6661 1.1554 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9982 -0.7191 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7696 -0.0049 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7451 0.8969 -0.9511 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5667 -0.2800 0.5556 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3586 0.3671 0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1726 1.1321 1.4952 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2751 2.0298 0.9246 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8201 2.9409 1.9642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3709 1.2183 0.2841 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8144 0.2987 -0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -0.5422 -0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1950 -1.6102 -1.0507 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -1.0698 -2.2804 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2586 -2.6381 -1.3274 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1473 -1.9215 1.6788 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9520 -2.1922 1.3955 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9127 -0.4751 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5088 1.1298 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5809 1.7523 1.9678 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6739 0.4430 2.2107 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7727 2.6492 0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1945 2.3913 2.8549 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9770 3.6199 2.2874 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5729 3.5948 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8973 0.6254 1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0457 1.9242 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3066 0.9634 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 -0.2740 -1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2139 -1.0474 0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6014 -2.1245 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4278 0.0499 -2.2241 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0775 -1.3947 -3.2051 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5121 -1.3468 -2.3184 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0670 -3.5792 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2300 -2.2572 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2611 -2.8839 -2.4170 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