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
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
4.3329 -0.7576 1.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1694 -0.7736 0.5041 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1625 0.1418 0.8268 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4172 0.6614 -0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3484 1.3798 -1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6814 -0.4082 -1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2627 -1.1908 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1063 -0.3749 0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5284 0.8948 1.2348 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3394 1.6197 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4869 -0.2331 0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1280 -1.5915 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3704 0.7052 0.8945 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0924 -1.4660 0.8509 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5414 -0.0334 1.8772 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0031 -1.5180 -0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8396 0.6831 -1.9063 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1159 1.8793 -0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8253 2.1425 -1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1573 0.0897 -1.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4123 -1.0965 -1.4624 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3578 -1.9619 0.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9091 -1.7917 -0.8414 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2652 -1.0249 1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3328 1.6042 1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1030 0.7626 2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2487 1.9111 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7893 2.4854 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3490 0.1920 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6216 -2.3014 0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2213 -1.5118 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9483 -1.9724 -1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3588 0.5857 1.9879 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1337 1.7452 0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4176 0.5240 0.5625 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