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
4.6167 1.3540 0.8007 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4989 0.6876 0.9745 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5083 0.7619 0.0244 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5109 -0.2639 -0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3185 -1.5285 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8471 -0.4441 1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6395 -0.5681 1.1562 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1934 0.3717 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7728 -0.1967 -1.1906 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7086 0.0811 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6787 0.5019 0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2839 1.4378 -0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4069 -0.8098 0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3925 1.3030 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7517 1.9492 -0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3369 0.0734 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4411 -2.1356 0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2897 -1.2837 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7730 -2.1773 -1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2446 -1.3520 1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0795 0.4007 1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0657 -0.2902 2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9036 -1.6158 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7456 1.3660 0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9115 -1.3157 -1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2815 0.2940 -2.0407 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0761 -0.4482 -2.2334 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7796 1.1705 -1.5722 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8496 0.9533 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7703 2.4167 -0.7295 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3317 1.6464 -0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3792 0.9980 -1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9466 -1.5268 0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4399 -0.6038 0.6793 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5735 -1.2070 -0.7445 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