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
4.6827 1.2322 0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7951 0.4603 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8546 -0.2458 0.7247 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5654 -0.4121 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7840 -1.1733 -1.1544 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0168 0.9629 -0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4163 0.9719 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2492 -0.1005 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6302 -0.5824 1.3702 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6839 -1.2541 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6770 0.3690 0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2362 0.7092 -1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5171 -0.7654 0.8366 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6854 1.3221 1.6217 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3953 1.7652 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7727 0.3534 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6531 -1.8637 -1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0187 -0.4334 -1.9624 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9039 -1.7983 -1.4041 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6183 1.3990 -0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1769 1.5951 0.7917 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8430 1.9673 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5549 0.9160 -1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3096 -0.9817 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2454 -1.3259 1.8859 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4263 0.2371 2.0863 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4489 -2.2490 0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2050 -1.4270 2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7413 1.2420 0.9721 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2221 -0.2689 -1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2750 1.0212 -0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5965 1.4229 -1.6261 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4297 -0.8660 1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3050 -1.6989 0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5860 -0.5005 0.5890 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