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
4.0553 1.0797 -0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3687 0.5116 -1.2135 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2729 -0.2751 -1.0952 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5150 -0.5598 0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4457 -1.2208 1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4233 -1.5085 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8141 -1.4283 0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3650 -0.0382 0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4187 0.8936 -0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9213 0.7038 0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7847 0.0993 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0080 -0.2570 -1.3024 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1764 1.5606 0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8371 0.9973 0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9375 1.7051 -0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7323 0.7021 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0521 -2.2434 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5357 -0.6256 1.9838 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4681 -1.3577 0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8415 -2.5406 -0.2548 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1657 -1.3962 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5852 -2.0554 -0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5925 -1.8841 1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3244 0.2419 1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7455 1.9518 -0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3649 0.5542 -1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.5368 1.6761 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5447 1.5937 0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4163 -0.4792 0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2912 -1.0057 -1.6923 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0249 -0.6968 -1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0168 0.6610 -1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2714 1.6444 0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9696 2.1355 -0.6268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6663 1.9998 1.1917 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