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
-3.9289 1.2651 -1.1944 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7285 0.0348 -0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4953 -0.5479 -1.0215 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5087 -0.7202 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1934 -1.6120 1.0471 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4019 -1.5369 -0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9458 -1.1159 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1514 0.2896 -0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1508 1.1756 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0998 0.5422 0.6398 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5388 0.8123 -0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5975 0.0208 -0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9282 0.8919 1.2063 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1814 1.8200 -1.7219 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9094 1.7073 -0.9842 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4613 -0.5424 -0.2373 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0774 -1.1014 1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4230 -1.8159 1.8267 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5567 -2.5502 0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3217 -1.2572 -1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5608 -2.6235 -0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7925 -1.1915 1.1153 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6791 -1.8390 -0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9607 0.3054 -1.5583 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0529 2.0310 -0.5198 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6599 1.6742 1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9397 1.2861 0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0696 0.4083 1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5602 1.8548 -0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0633 -0.7230 -0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4131 0.7217 -1.2367 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2449 -0.4538 -1.8918 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6056 1.8645 1.6437 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5809 0.0262 1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0376 0.8992 1.2498 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