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
4.0743 1.0172 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8300 0.3110 0.5338 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6771 -0.3930 0.7936 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6266 -0.4431 -0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1599 -1.0545 -1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0533 0.9424 -0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3313 1.0888 0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3242 0.1195 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7095 -1.2578 -0.4414 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5090 -1.3211 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4905 0.0395 0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5563 -0.9052 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1033 1.4102 0.8366 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0197 1.5283 -0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3972 1.1389 -1.3797 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6163 0.2744 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2526 -1.2485 -1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9159 -0.4859 -2.3258 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6830 -2.0471 -1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0079 1.2659 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6885 1.6833 0.2026 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6331 2.1494 0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2994 1.0340 1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7207 0.4984 -1.2777 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4085 -2.0592 -0.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5294 -1.4466 -1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2647 -0.9221 1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8784 -2.3566 0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0689 -0.3067 1.6381 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5235 -0.3763 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7965 -1.6390 1.0089 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2976 -1.4449 -0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1674 1.2489 1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1056 1.9429 -0.1426 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5889 2.0145 1.5947 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