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
-4.8799 -0.7805 -0.4824 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8015 -0.6930 0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6292 -1.3499 -0.1598 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4320 -0.5952 -0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7617 0.3844 -1.4927 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0783 0.0806 0.8813 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2345 0.7638 0.8748 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2138 0.2994 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0245 -1.0518 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3628 -1.5672 -0.7566 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5959 0.3835 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6893 -0.0598 -0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8753 1.8088 0.9916 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7772 -0.2799 -0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9163 -1.3307 -1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8275 -0.1290 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4300 -0.0721 -2.2555 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8956 0.8516 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3548 1.2048 -1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9003 0.7965 1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1303 -0.7101 1.6797 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0478 1.8623 0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6416 0.7438 1.9275 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2908 1.0236 -0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6774 -1.7642 -0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4599 -1.1036 -1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4711 -2.4466 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6139 -1.9964 -1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5155 -0.2538 1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2503 0.8380 -0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4472 -0.6080 0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3902 -0.7309 -1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7235 1.7483 1.7107 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9964 2.2825 1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1886 2.4509 0.1428 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