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
4.5749 -0.8209 1.0414 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -0.4494 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9135 0.2040 -0.1949 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5685 0.5126 -0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6003 1.2384 -1.8509 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8401 -0.8020 -0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6352 -0.6213 -0.9191 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2248 0.5349 -0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3375 0.8080 1.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9271 1.4348 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6105 0.3024 0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6534 -0.8482 1.3158 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6460 0.1232 -0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9075 -1.3379 1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2909 -0.6214 0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6382 -0.6688 1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7050 2.3049 -1.6348 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6635 1.0350 -2.4314 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4228 0.8384 -2.4998 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3222 -1.3702 -1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9728 -1.3482 0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1183 -1.5986 -0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7171 -0.4213 -2.0257 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1970 1.4569 -0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0681 -0.1100 1.5536 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8201 1.5700 1.6733 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6433 2.4197 0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6062 1.6636 1.3518 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8880 1.2185 0.9151 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7899 -1.5358 1.2116 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5952 -1.4078 1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7328 -0.4840 2.3816 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1891 1.0865 -0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4395 -0.5774 -0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2564 -0.2289 -1.6909 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