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
4.3194 0.5984 0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0082 0.4473 1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1645 0.8111 0.0351 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4373 -0.1667 -0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4541 -1.0957 -1.3145 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6224 -0.9558 0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3433 -0.0277 0.9502 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1950 0.7469 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8379 0.5997 -1.4298 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6175 0.5535 -1.7196 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6718 0.4335 0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9703 -1.0227 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1927 0.7875 1.5288 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9286 0.2904 1.8361 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8053 1.0038 0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5449 0.0358 1.9555 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9794 -2.0496 -1.6157 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9241 -0.6556 -2.2128 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2492 -1.2527 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3162 -1.3339 1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1236 -1.8365 -0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2435 0.6375 1.6375 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9686 -0.6547 1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0928 1.8365 0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3325 -0.2765 -1.9223 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2601 1.4971 -1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0334 1.5845 -1.9142 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7832 0.0054 -2.6936 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2476 1.0138 -0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9429 -1.2361 0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2332 -1.7039 0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1302 -1.2390 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1734 -0.0936 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2705 1.0429 1.4283 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6919 1.6751 1.9676 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