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
4.7460 -1.7416 -1.0677 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6363 -1.2273 -1.5683 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6351 -0.7152 -0.6375 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8106 -0.7561 0.6060 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4399 -0.1577 -1.0706 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4614 0.3421 -0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3645 1.8210 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8486 2.4594 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5830 2.5405 1.6971 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1097 1.6914 -0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9451 0.4590 -0.8692 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8000 -0.4035 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1916 -1.0596 0.9233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4733 -1.8442 0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1029 -1.9849 1.3526 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5347 -2.1414 -1.6977 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9292 -1.7924 -0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5075 -1.2029 -2.6383 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8679 0.1818 0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2885 2.2820 -0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3499 2.0507 -1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9755 3.4978 -0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0337 3.4551 1.8791 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0306 1.6589 1.9726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5300 2.5473 2.2573 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5954 1.4359 0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8381 2.3384 -0.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9010 -0.1004 -0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8144 0.7641 -1.9276 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6434 -1.2089 -1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3946 -0.2426 1.6456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6144 -2.2758 -0.2223 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4126 -2.6931 1.4939 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3646 -1.2475 1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5642 -2.8430 1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6057 -1.5208 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 -2.3663 0.4807 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