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
4.6757 -1.5946 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5647 -1.5660 -0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5226 -0.6259 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6847 0.1679 0.9288 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3180 -0.5377 -0.7044 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3407 0.3753 -0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0297 1.3609 -1.4736 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0998 2.2576 -1.2259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5415 3.6004 -0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1525 1.8397 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7906 0.7295 0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9239 -0.3349 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7967 -1.4422 0.9977 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1658 -2.0557 1.2989 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0233 -2.6094 0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8687 -0.9303 1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4622 -2.2968 0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4260 -2.2464 -1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6597 0.9760 0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9904 1.9080 -1.6655 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1591 0.7511 -2.3877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6006 2.5389 -2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4490 3.7361 -1.1961 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2364 4.4224 -0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3436 3.4735 0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5396 2.6811 0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0675 1.4775 -0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7032 0.2509 1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2135 1.0985 1.5302 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4562 -0.7277 -0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3971 -1.0799 1.9469 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7647 -2.2021 0.3826 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6985 -1.5013 2.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9658 -3.0611 1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5198 -3.5849 0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1723 -2.5053 -0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9485 -2.7434 1.0353 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