Monomers
1-Ethenoxy-1-methyl-4-propan-2-ylcyclohexane
Identifiers
IUPAC name
1-ethenoxy-1-methyl-4-propan-2-ylcyclohexane
InchI
InChI=1S/C12H22O/c1-5-13-12(4)8-6-11(7-9-12)10(2)3/h5,10-11H,1,6-9H2,2-4H3
InchI Key
WRUMORYYDBPISA-UHFFFAOYSA-N
SMILES
C=COC1(C)CCC(CC1)C(C)C
Canonical SMILES
CC(C)C1CCC(CC1)(C)OC=C
Isomeric SMILES
CC(C)C1CCC(CC1)(C)OC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H22O
Heavy Atom Count
13
Molecular Weight
182.307
Exact Molecular Weight
182.1671
Valence Electrons
76
Radical Electrons
0
tPSA
9.23
MolLogP
3.7514
H Bond Acceptors
1
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
35 35 0 0 0 0 0 0 0 0999 V2000
4.4403 1.5934 -0.8626 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6969 0.7364 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6803 0.0105 -0.8213 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5722 -0.4937 -0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1846 -1.4155 0.9797 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9690 0.6540 0.6688 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3158 1.0993 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2657 -0.0465 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7790 -1.2038 -0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6641 -1.2787 -0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6826 0.2880 -0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5537 -0.9286 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2449 1.4289 0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2217 2.1379 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3281 1.8101 -1.9169 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8737 0.5778 0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0658 -1.9183 0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4936 -0.8502 1.8752 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4184 -2.2054 1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6380 0.3022 1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6820 1.4745 0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6866 2.0535 0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0652 1.1507 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2558 -0.3110 1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3768 -1.2188 -1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -2.1397 -0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8314 -0.9416 -1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9728 -2.3649 -0.9376 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7614 0.5605 -1.2984 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6794 -1.1712 1.0698 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5690 -0.7702 -0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1197 -1.7808 -0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7682 2.3793 0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3185 1.5192 0.3051 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1674 1.2626 1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
8 11 1 0
11 12 1 0
11 13 1 0
10 4 1 0
1 14 1 0
1 15 1 0
2 16 1 0
5 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
7 23 1 0
8 24 1 0
9 25 1 0
9 26 1 0
10 27 1 0
10 28 1 0
11 29 1 0
12 30 1 0
12 31 1 0
12 32 1 0
13 33 1 0
13 34 1 0
13 35 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers