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
2.7423 1.8154 0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8737 0.7662 -0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9353 -0.2446 -0.2663 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9472 -0.4286 -1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5967 -0.6671 -2.6262 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0426 0.7362 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3398 0.5186 -0.7974 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5191 -0.4432 0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3942 -1.4345 0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1610 -1.6785 -0.9339 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8350 0.2087 1.6424 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9937 -0.8830 2.6873 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8014 1.2162 2.0589 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9212 1.9407 1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4689 2.6238 0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7213 0.7183 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3659 -1.4560 -2.5548 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9804 0.2680 -3.0588 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7981 -1.0390 -3.3033 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0262 1.1029 -2.3458 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5228 1.6013 -0.7388 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7305 1.5171 -0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0192 0.2916 -1.6722 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4338 -1.0677 0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7322 -2.3859 0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4411 -1.0628 1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8129 -2.5574 -0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7182 -1.7684 -1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8064 0.7348 1.5407 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8368 -1.5250 2.3365 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3074 -0.4289 3.6576 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0788 -1.4652 2.8313 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2069 1.7335 2.9608 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1707 0.7567 2.3187 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7227 1.9858 1.2758 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