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
4.8455 0.7083 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5887 0.8458 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5465 0.5518 -0.6282 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5136 -0.3859 -0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2600 -1.7096 -0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8225 -0.0199 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6467 -0.1346 1.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3669 -0.1055 -0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4766 0.4582 -1.3781 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6611 -0.5679 -1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6590 0.6652 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5329 0.0025 0.8648 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4151 0.7163 -1.4616 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6608 0.9413 0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1420 0.3562 -1.1305 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3720 1.1989 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4387 -2.2327 -0.9968 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6526 -2.3016 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2007 -1.4503 0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0853 1.0572 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2712 -0.5804 1.8411 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9111 -1.0975 1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1039 0.6516 1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6259 -1.1337 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0491 1.4040 -0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0064 0.5704 -2.3253 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2338 -0.3275 -2.3861 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1800 -1.5724 -1.5268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4259 1.7129 0.1357 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4784 -1.0980 0.7924 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2219 0.3858 1.8626 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5906 0.2872 0.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6634 -0.3166 -1.7937 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9149 1.3077 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3864 1.2126 -1.2608 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