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
2.1219 3.6726 -1.8874 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5416 2.5009 -1.8387 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4010 1.7732 -0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7946 2.1548 0.5074 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7893 0.5289 -0.5238 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6033 -0.2414 0.5921 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3648 -1.5219 0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6864 -2.7222 0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1152 -3.0119 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8131 -2.6686 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3832 -1.3301 -0.2134 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8505 -0.4041 0.8925 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 0.8103 1.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7538 1.6657 -0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3326 1.6825 2.1896 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5132 4.1270 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2092 4.1843 -2.8212 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1555 2.0603 -2.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0028 0.3965 1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3700 -1.4442 0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5728 -1.7446 1.7453 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9658 -3.6559 0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0719 -4.0876 -1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1257 -2.5730 -1.4974 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4205 -2.4606 -1.9862 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1735 -2.9476 1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2214 -3.4289 -0.5743 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1244 -0.9575 -1.2064 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4763 -1.3823 -0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9397 -0.9997 1.8334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7307 0.4476 1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8444 1.8808 -0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2462 2.6510 -0.0162 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3498 1.2410 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2661 2.2751 2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5652 2.4085 1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0793 1.1209 3.0909 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