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
-3.0202 2.3879 -0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2291 1.0887 -0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2342 0.2160 -0.8708 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6744 -0.7424 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7461 -1.7106 0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6862 -1.5628 -0.7887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5795 -0.8145 -1.0762 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 -0.2735 0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2484 0.5219 1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0662 -0.1234 1.2246 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3944 0.5632 -0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1313 1.1726 0.9221 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3509 -0.3086 -1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0784 2.8182 -0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8002 3.1205 -0.4064 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1984 0.7533 -0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0613 -1.4575 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6076 -1.7178 -0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3199 -2.7415 0.5557 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4440 -2.5300 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1710 -1.7687 -1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4552 -0.0216 -1.8448 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3100 -1.5649 -1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5620 -1.1325 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0701 1.5217 0.5341 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.6450 2.0281 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7774 0.6206 1.6266 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9837 -0.9190 2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0841 1.3833 -0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9910 0.6698 1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2197 1.1557 0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8713 2.2586 1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3079 0.2812 -1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9953 -0.5419 -2.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6003 -1.2469 -0.4852 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