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
4.6057 0.7274 -0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4975 1.3343 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3295 1.0175 -0.6578 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4818 -0.0568 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3164 -1.3207 -0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9978 0.0775 1.1388 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3926 0.7182 1.1338 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3213 -0.3357 0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8534 -0.8231 -0.7777 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3796 -0.1426 -1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7574 0.1289 0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9687 1.3752 -0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5949 -0.9704 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5145 0.9867 0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6374 -0.0144 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4851 2.0751 0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7494 -1.4696 -1.3782 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1479 -1.2046 0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7106 -2.2276 -0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8451 -0.9458 1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6849 0.5970 1.8031 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6877 0.8613 2.1914 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3981 1.6458 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2782 -1.1975 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6470 -0.6772 -1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6977 -1.9420 -0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1020 0.8743 -1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7518 -0.7620 -2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0546 0.2920 1.6083 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4673 1.3424 -1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6796 2.2979 0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0636 1.4709 -0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0522 -1.9441 0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5900 -1.0265 0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7328 -0.7619 -1.1183 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