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
4.8762 -0.9673 -1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9269 -0.7969 -0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6113 -0.3850 -0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3585 -0.1907 -2.1473 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5353 -0.1769 -0.0553 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2699 0.2228 -0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0492 1.6248 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2754 2.1068 -0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3954 3.5688 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3461 1.2720 0.0536 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1963 -0.1545 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8326 -0.7171 -0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6761 -1.3431 1.1887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6041 -2.1350 1.3096 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8197 -2.2505 1.5157 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8903 -1.2752 -1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7140 -0.8142 -2.4205 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1805 -0.9724 0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2840 0.3309 -1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0431 1.6700 1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8374 2.2640 -0.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3059 1.9178 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3228 4.1612 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6075 3.9423 0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3765 3.7695 0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3558 1.3923 1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3242 1.6349 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9559 -0.7613 0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4468 -0.1778 -1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7390 -1.5939 -0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6453 -0.5408 1.9709 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4180 -1.5635 1.8125 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4055 -3.0956 1.8393 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9472 -2.4116 0.2949 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4521 -3.0065 2.2415 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6786 -1.7234 1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1131 -2.8249 0.6064 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