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
3.3698 2.2204 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9151 1.2060 -0.8714 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9561 -0.0622 -0.3589 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7125 -0.6917 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0975 -2.0754 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9624 -0.8977 -1.2956 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5299 -1.0531 -1.1105 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0031 0.2091 -0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4192 0.2480 0.9246 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0458 0.1264 1.0024 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4985 0.3102 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9096 1.5780 0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1624 -0.8872 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7797 2.0503 0.8562 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3627 3.2368 -0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5246 1.4314 -1.8513 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3430 -2.7230 -0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2843 -2.4931 1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0300 -1.9639 1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1130 -0.0365 -1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3735 -1.7900 -1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7172 -1.8944 -0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9778 -1.2175 -2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6380 1.0610 -1.0628 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9155 -0.5404 1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7485 1.2182 1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4885 1.1647 1.0504 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3068 -0.3213 2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8555 0.3708 -1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3552 2.4234 -0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7766 1.5734 1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9878 1.7615 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0671 -0.9696 1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2643 -0.7881 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8392 -1.7847 -0.3420 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