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
3.5954 -2.7124 2.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7063 -2.6938 1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0263 -1.4402 0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2646 -0.3906 1.4391 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0616 -1.3117 -0.2194 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4039 -0.1031 -0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7389 0.4345 -1.8812 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3245 1.8617 -1.9106 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4157 2.6671 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0070 2.1675 -1.3276 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5710 1.2427 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0845 -0.1942 -0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6264 -1.0631 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2490 -0.5954 1.9949 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1367 -1.1243 0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8301 -1.8180 2.6232 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1020 -3.6450 2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5121 -3.5962 0.5206 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7957 0.6558 0.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1723 -0.1602 -2.6329 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8348 0.3698 -2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3506 2.1957 -2.9877 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4035 2.1961 -1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4489 3.6883 -1.6503 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3005 2.6596 -0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7480 2.3003 -2.1712 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9423 3.1906 -0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3436 1.5364 0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6849 1.1879 -0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4892 -0.5684 -1.4371 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2609 -2.0945 0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1354 -0.0930 2.4659 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0560 -1.4880 2.6211 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3876 0.1053 1.9664 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4187 -0.9157 -0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5283 -2.1187 0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6179 -0.3328 1.1241 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