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
4.8785 1.5623 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7757 1.2592 0.6972 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6639 0.6296 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7560 0.3740 -1.2246 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4768 0.2841 0.6424 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4522 -0.3185 -0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2722 -1.7249 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7438 -2.5169 -0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0510 -3.7672 0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0418 -1.7623 -0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7768 -0.3931 -0.9857 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8742 0.3419 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9263 1.7804 -0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1040 2.6819 0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3752 2.2340 -0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9626 1.3417 -1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7334 2.0256 0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7515 1.4987 1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7273 -0.4599 -1.1684 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2236 -2.2499 0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0821 -1.5492 1.5489 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2812 -2.7580 -1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1466 -4.3716 0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5264 -3.4233 1.4763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7717 -4.3817 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4816 -1.6496 0.5809 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7238 -2.3637 -1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6799 0.1589 -1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1546 -0.5176 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3149 0.1302 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6137 1.9197 -1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6223 3.6614 0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0350 2.3296 1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8597 2.8966 0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4631 3.2081 0.3284 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0059 1.4783 0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8076 2.4111 -1.2265 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