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
4.4728 -2.2501 0.3923 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4380 -1.8877 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4186 -0.9904 0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5495 -0.5426 1.3335 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3340 -0.6164 -0.6389 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4004 0.2466 -0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3719 1.5998 -0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2299 2.5746 0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2721 3.9248 -0.5419 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5953 2.1552 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7286 0.7151 0.9265 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0162 -0.1975 -0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1628 -1.6282 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6099 -2.0856 0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4703 -2.4910 -0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5530 -1.8510 1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2155 -2.9146 0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3536 -2.2811 -1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7003 0.5106 0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2880 1.5271 -1.7474 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3673 1.8798 -1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4660 2.6265 1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9987 3.8526 -1.3798 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7182 4.1959 -0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6310 4.6703 0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3022 2.4471 -0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8914 2.7646 1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8239 0.4821 0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2678 0.5805 1.9262 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5403 -0.0399 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7213 -1.8726 1.2623 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5832 -3.1751 0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1786 -1.5947 1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0902 -1.9976 -0.6702 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4243 -3.0246 -0.3206 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1344 -3.3501 -1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2472 -1.9622 -1.6903 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