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
4.6982 -0.1969 0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6966 0.5148 0.7148 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5763 0.8529 0.0023 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5102 0.0077 -0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0553 -1.1488 -1.1301 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7909 -0.5302 0.8883 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3299 0.3468 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2736 0.7684 0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8089 0.2199 -1.0172 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5818 0.7721 -1.2456 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7057 0.3936 0.6106 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9104 -1.0767 0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6629 0.9308 -0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5664 -0.4443 0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6878 -0.5624 -0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7727 0.8476 1.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2041 -1.7198 -1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6570 -1.8440 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6293 -0.7497 -2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4255 -1.5347 0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5216 -0.6201 1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9047 -0.2463 2.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0870 1.2099 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2491 1.8802 0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7929 -0.8795 -1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4529 0.6192 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9021 0.6460 -2.3077 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5683 1.8287 -0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9523 0.9193 1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4581 -1.4923 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5824 -1.2443 1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9640 -1.6347 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5736 1.3845 0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0795 0.1007 -1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2304 1.6815 -1.0767 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