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
4.8030 -1.1376 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6159 -0.5723 0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5146 -1.0933 0.0984 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5186 -0.1367 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2365 0.8533 -1.2047 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9234 0.5385 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4903 0.0583 1.1996 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4361 0.3356 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6973 0.2193 -1.2279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4015 -0.8189 -1.0387 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5845 -0.6569 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4860 -0.3274 -1.1086 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2827 -0.6782 1.3689 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6565 -0.7474 1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9558 -2.0140 0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5308 0.2969 1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2149 0.4640 -1.5539 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4624 1.7407 -0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6530 1.0881 -2.1133 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5273 0.2423 1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9087 1.6304 0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5112 -0.9850 1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8386 0.6802 2.0701 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9032 1.3419 0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3387 -0.0499 -2.0828 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2733 1.2274 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0050 -1.6263 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7228 -1.2507 -2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1411 -1.6598 -0.1632 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3018 -0.9729 -1.9929 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4328 0.7634 -1.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5671 -0.4746 -0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5295 0.3237 1.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6287 -1.1660 2.1137 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1979 -1.2980 1.3006 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