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
4.5236 0.0067 -0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1295 -0.7051 0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7320 -0.7650 0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3602 -1.4466 1.8740 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7303 -0.0720 0.2088 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3655 -0.1541 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0174 1.2224 1.1221 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1447 2.2054 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8810 3.4413 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8431 1.6491 -1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5512 0.3448 -0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5020 -0.6565 -0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1070 -1.9997 -0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9641 -1.9946 1.0694 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8594 -2.5486 -1.3111 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5568 0.0275 -0.8358 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8459 0.5874 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8411 -1.2717 1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2958 -0.8261 1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8946 1.2041 1.8045 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8386 1.5721 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8794 2.5542 -0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5926 3.7702 1.4729 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7229 4.2310 -0.2907 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9896 3.2537 0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6321 2.3563 -1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1522 1.5125 -2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3511 0.4842 -0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9703 -0.0147 -1.8598 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1379 -0.8259 -1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2376 -2.6909 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6573 -1.3196 1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0552 -1.8690 0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9228 -3.0345 1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9642 -2.6183 -1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5640 -3.6161 -1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6603 -1.9940 -2.2444 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