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
4.1384 1.4201 0.7085 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8628 0.1438 0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6938 -0.3681 1.0090 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5591 -0.6581 0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0330 -1.6884 -0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0973 0.5498 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2576 1.0384 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3051 -0.0496 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8457 -1.3192 0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5193 -1.2274 1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5538 0.5077 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9833 1.7384 -0.2659 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6345 -0.5462 0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4665 2.0629 1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0628 1.8167 0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5259 -0.5210 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6498 -2.4394 -0.2724 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1952 -2.1147 -1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7074 -1.1221 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8169 1.3716 -0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0788 0.4056 -1.6495 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2304 1.4243 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5757 1.8173 -0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5998 -0.2722 -1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8682 -2.1959 -0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5595 -1.5484 1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8293 -2.2554 1.4001 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4782 -0.6287 2.0552 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2797 0.8373 1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0479 1.9413 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8210 1.5964 -1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4169 2.6314 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2711 -1.5436 0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4395 -0.1916 -0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0245 -0.6130 1.5769 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