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
3.9124 1.7243 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7629 0.5301 0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5182 0.1991 0.9797 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5822 -0.6160 0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1906 -1.9719 0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4123 -0.8056 1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7732 -1.2375 0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3091 -0.0972 -0.3675 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1768 0.8620 -0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0954 0.0539 -0.8981 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4708 0.5749 0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0224 1.7248 -0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5635 -0.4437 0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1048 2.4258 -0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8651 2.0002 -0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5850 -0.1792 0.4782 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6776 -2.0527 -0.9041 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9668 -2.1306 0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4761 -2.8004 0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2208 0.1312 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6531 -1.6127 1.9984 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5329 -1.7336 1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3989 -1.9994 -0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6897 -0.4206 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0184 1.5114 0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4342 1.4548 -1.5211 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8721 -0.6407 -1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8329 0.7892 -1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0935 0.9910 1.2809 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0746 1.3858 -1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4721 2.6568 -0.3544 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1008 1.8593 -0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3329 -1.4320 0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5328 -0.1081 0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7317 -0.5925 1.6309 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