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
4.5379 1.0907 -0.7869 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3380 1.2286 -0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3158 0.4604 -0.7653 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5346 -0.4271 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4695 -1.4514 0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6019 -1.1486 -0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7230 -1.3096 -0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3140 0.0898 -0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4366 0.9594 0.7621 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8588 0.3131 1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7402 0.0815 0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5789 -0.7323 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2423 1.5045 0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7533 0.4009 -1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3577 1.6754 -0.4161 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2042 1.9304 0.5361 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3222 -1.6381 -0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9388 -2.4436 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8012 -1.1713 1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0304 -2.1446 -1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4219 -0.5719 -1.8186 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3698 -1.9970 -0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5066 -1.7206 0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2771 0.4973 -1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0010 1.1503 1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2642 1.9587 0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7120 -0.3529 2.0218 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5486 1.1195 1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7689 -0.3518 1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3998 -0.3674 -1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6497 -0.4770 -0.3475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4728 -1.8156 -0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6770 2.1030 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3073 1.5601 0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0176 1.9972 1.3269 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