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
-3.8012 0.9910 1.5966 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5590 -0.2203 1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3017 -0.7604 1.3064 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4649 -0.8638 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2230 -1.7479 -0.8277 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2325 -1.5831 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8767 -1.1755 -0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2216 0.2615 0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0497 1.1371 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2397 0.4718 -0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4206 0.6573 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8867 2.0620 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5745 -0.2679 -0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7695 1.4365 1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0065 1.5445 2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3608 -0.7747 0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2460 -2.7828 -0.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7463 -1.6979 -1.8303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2731 -1.4220 -0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1048 -1.3198 1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4224 -2.6865 0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5309 -1.1225 -1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7102 -1.8591 -0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5613 0.1869 1.0778 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2467 1.8902 -0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0603 1.7635 0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3503 0.3830 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0683 1.1361 -0.1518 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1382 0.5445 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4909 2.4055 -1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0521 2.7510 -0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5752 2.1030 0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4890 -1.2393 -1.0216 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5293 0.2422 -0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6669 -0.4440 0.5665 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