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
3.7535 -1.8809 -1.3132 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0374 -0.6196 -1.0483 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9361 0.2469 -0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1656 1.4398 -0.3967 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6388 -0.2024 -0.5515 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5466 0.6151 -0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4501 0.7827 -1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2819 2.0218 -0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5035 2.0310 -1.8481 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6401 1.9660 0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5896 0.5221 1.0247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1328 0.1340 1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0844 -1.3224 1.3577 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4108 -2.2362 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6821 -1.6692 2.6179 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5629 -2.5303 -1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7568 -2.2901 -1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0296 -0.2543 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9687 1.6274 0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0534 0.9936 -2.2419 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1494 -0.0402 -1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7299 2.9418 -1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7335 0.9908 -2.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2694 2.6090 -2.7668 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3574 2.4878 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9322 2.5847 1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7024 2.2940 0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0213 0.5601 2.0466 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2015 -0.1155 0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2999 0.6807 1.9425 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1572 -1.4793 1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0200 -2.0235 -0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0842 -3.2643 0.5406 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5167 -2.2561 0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7445 -1.4240 2.4515 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6249 -2.7748 2.7258 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2528 -1.1461 3.4964 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