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
3.8403 2.2476 0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8622 1.6376 -0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7743 0.8038 -0.8674 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8588 0.2491 -1.9873 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6053 0.5714 -0.1468 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5514 -0.2392 -0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4061 -1.3876 0.3616 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3126 -2.4987 -0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6573 -3.5615 0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5419 -1.8989 -1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8610 -0.5348 -0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7481 0.4609 -0.7574 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8762 1.7019 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7382 1.4554 1.5515 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2509 2.3086 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6835 2.8489 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0137 2.1818 1.4713 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7265 1.7579 -1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8541 -0.6137 -1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4324 -1.7119 0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1442 -1.0776 1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3682 -2.8926 -1.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0387 -3.0527 1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4099 -4.2751 0.2514 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2894 -4.0548 0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4043 -1.8548 -2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4041 -2.5497 -0.8241 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8185 -0.2148 -0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0708 -0.6462 0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8888 0.7524 -1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1072 2.4424 -0.2113 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5010 0.7653 1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9522 2.4439 2.0531 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2883 1.1955 1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4159 2.5503 -1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9878 1.5128 0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4250 3.1772 0.5239 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