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
3.4039 -1.1591 1.8605 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5330 -0.7312 0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5864 -1.0415 -0.3110 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 -0.0142 -0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4566 1.1672 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6954 -0.4172 -1.7084 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6733 -0.7852 -1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3112 0.2781 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3433 1.1193 0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9543 0.3503 0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3425 -0.3916 0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0587 0.5821 1.4071 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3885 -0.9920 -0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1358 -0.9221 2.6066 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5608 -1.7576 2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3759 -0.1333 0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8302 0.9406 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2740 1.4250 -0.4309 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7928 2.0697 -1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6216 0.3459 -2.5092 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1203 -1.3359 -2.1915 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3205 -0.9764 -2.0915 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6310 -1.7532 -0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8726 0.9588 -1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0257 1.9962 -0.2418 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7069 1.5225 1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6252 1.0604 1.2023 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6860 -0.5217 1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8489 -1.1540 1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0522 0.1311 1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2675 1.5449 0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5366 0.7195 2.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7690 -0.1586 -1.0666 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9460 -1.7360 -1.1201 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1932 -1.4682 0.1708 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