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
3.8717 -0.8216 1.9215 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4807 -0.4460 0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4571 -1.1138 0.0361 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5016 -0.3457 -0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3096 0.4241 -1.7618 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6143 -1.2857 -1.4209 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6723 -1.6058 -0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2757 -0.2575 -0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4377 0.2784 0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8925 0.6364 0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7336 -0.3298 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0553 -1.2094 1.1224 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2484 1.0708 0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6524 -0.3150 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3999 -1.6632 2.3917 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9793 0.4089 0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0218 0.1274 -2.7909 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3831 0.2602 -1.6647 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1138 1.5182 -1.6968 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3176 -0.8298 -2.3973 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1786 -2.2394 -1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3841 -2.1366 0.2464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3164 -2.2105 -1.3406 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1535 0.4374 -1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2835 -0.5373 1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8786 1.1714 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5808 0.8375 1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7831 1.6424 -0.2994 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2511 -0.7469 -0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4057 -1.0293 1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0957 -0.9361 1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1310 -2.2866 0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2337 1.2263 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5518 1.8213 -0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4299 1.2776 1.2190 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