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
4.8452 -1.3205 1.1769 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7562 -0.6250 1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6693 -0.6290 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7846 -1.3230 -0.6307 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5007 0.0797 0.6044 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4762 0.0360 -0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3207 1.4008 -0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8681 2.1624 -0.4699 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6682 3.6453 -0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1191 1.7584 0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7218 0.3557 0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7476 -0.5738 0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4941 -1.3930 -0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6128 -2.5056 -1.3641 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7381 -2.0091 -0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6443 -1.3051 1.9019 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0003 -1.9262 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6708 -0.0464 2.2916 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8321 -0.6311 -1.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2259 2.0391 -0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2840 1.3750 -2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7547 1.8551 -1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5905 4.1022 -0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1860 3.8794 -1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4639 4.1095 0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1810 1.6538 1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8554 2.4345 1.4581 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0938 -0.0203 1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6117 0.5140 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4288 -1.3157 0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8212 -0.7084 -1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2216 -2.7472 -0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2002 -3.4572 -1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2462 -2.2384 -2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9297 -2.9516 -0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6289 -2.2946 0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6423 -1.3794 -0.4253 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