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
-4.1483 1.2810 0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8011 0.1524 0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6775 0.0273 -0.7591 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5318 -0.6782 -0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0598 -2.0915 0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5771 -0.8209 -1.3758 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5397 0.1935 -1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2749 -0.0286 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4283 0.0752 1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0369 -0.0396 0.9769 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4733 0.8968 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4498 0.6774 -1.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2284 0.6839 1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0279 1.3109 1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6003 2.2013 0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3703 -0.7506 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2311 -2.7160 0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4278 -2.4752 -0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8953 -2.0455 0.7679 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0811 -0.6905 -2.3594 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1525 -1.8676 -1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0769 1.1902 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1963 0.0036 -2.1783 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7086 -1.0683 -0.1032 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7827 -0.6829 1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6765 1.0652 1.6593 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4685 -0.5893 1.8636 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4938 0.9832 1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1209 1.9467 0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0468 0.8528 -2.0688 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2694 1.4273 -0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9460 -0.3122 -1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2205 0.1968 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6872 0.0390 2.0542 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4549 1.6524 1.8346 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