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
4.4963 0.7055 1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2659 0.5920 1.4510 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2071 1.1756 0.7468 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4861 0.3046 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4982 -0.2255 -1.1301 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3509 1.0037 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6295 -0.0243 -1.3365 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3268 -0.7491 -0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5601 -0.5543 1.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9167 -0.8075 0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7504 -0.2705 -0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8407 1.2136 0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5811 -1.0588 0.8341 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7174 1.2436 0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2974 0.2609 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0672 0.0449 2.3572 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1721 -0.9163 -0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0384 0.6062 -1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9843 -0.7871 -1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1602 1.6783 -0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6815 1.6061 -1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3462 0.5460 -1.9801 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0828 -0.7112 -2.0175 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3574 -1.8359 -0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6785 0.4446 1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8207 -1.2909 1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5021 -1.0319 1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9133 -1.7319 0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1894 -0.4546 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9333 1.4485 0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3414 1.5479 1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5254 1.7546 -0.8271 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9939 -1.8370 1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4427 -1.5712 0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0348 -0.3185 1.5512 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