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
3.5789 1.1792 0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9805 0.1877 1.3474 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0375 -0.6536 0.8328 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5279 -0.5561 -0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6747 -0.7153 -1.4456 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5320 -1.6468 -0.7767 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7376 -1.5217 0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1036 -0.0888 0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5407 0.7055 -0.8861 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9430 0.8226 -0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5727 0.1684 0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3227 -0.6143 1.3608 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7748 1.6433 0.6399 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3944 1.4528 -0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3233 1.7911 1.2365 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2676 0.0121 2.4028 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6231 -0.8498 -0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5145 -1.6273 -2.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7393 0.1230 -2.1678 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2872 -1.5875 -1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0345 -2.6118 -0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6223 -2.0769 0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5338 -2.0401 -0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6221 0.3074 1.2091 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0157 1.6992 -0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7563 0.1729 -1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0674 1.4418 0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3513 1.3692 -1.5235 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0099 -0.0237 -0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2861 -0.9759 0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 -1.5155 1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6077 0.0092 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9135 2.2194 -0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9524 2.0274 1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7079 1.7728 1.2452 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