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
-4.4105 0.7181 0.6466 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1689 0.9412 1.0404 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2557 -0.0946 0.9970 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5182 -0.4067 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5332 -0.7537 -1.2799 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7246 0.8051 -0.5688 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2990 1.0552 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2293 -0.0969 0.7231 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8625 -1.1912 -0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5922 -1.5572 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6550 0.3667 0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6388 -0.7611 0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9176 1.0374 -0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1823 1.4684 0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7219 -0.2687 0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9248 1.9380 1.3823 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1682 -1.6030 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1267 0.1446 -1.5368 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9974 -1.0862 -2.1908 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2872 0.6423 -1.5647 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3854 1.6656 -0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2796 1.1884 1.4619 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8564 1.9973 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1554 -0.5422 1.7476 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0199 -0.9191 -1.3006 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4766 -2.0663 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8264 -2.4482 -0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6125 -1.8830 1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8431 1.1040 1.3774 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5850 -0.3400 1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2216 -1.5438 1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8448 -1.1780 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0548 1.1417 -1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3607 2.0681 -0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6952 0.4577 -1.3214 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