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
-3.3092 2.1582 0.8593 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0339 1.2054 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0930 0.2700 0.3341 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5043 -0.6640 -0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5220 -1.6095 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6007 -1.5480 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4682 -0.7096 1.0329 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9889 0.2698 0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7621 -0.2810 -1.3475 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7223 -0.0519 -1.6488 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4225 0.6606 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3811 -0.4747 0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5461 1.3526 1.5964 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8181 2.2278 1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0479 2.8990 0.6033 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5618 1.2007 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7234 -1.3198 -2.2014 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0787 -2.6422 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4684 -1.6358 -0.6054 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2659 -1.9117 1.1798 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2058 -2.4007 -0.1925 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0090 -0.1892 1.9236 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2111 -1.4023 1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3837 1.2114 0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0337 -1.3478 -1.4284 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3213 0.3177 -2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0007 -0.4500 -2.6309 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8622 1.0604 -1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6738 1.4024 -0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3504 -0.0767 -0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5720 -0.8234 1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0676 -1.2973 -0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5997 1.9146 1.7573 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6524 0.5857 2.3821 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3743 2.0993 1.6127 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