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
3.0972 -2.0530 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4895 -1.0348 0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6761 0.2248 0.0362 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6283 1.1403 -0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3303 2.4013 -0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8339 1.4459 0.9886 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6434 1.1908 0.7916 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8939 -0.2025 0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1411 -0.4886 -0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7825 0.6289 -1.3874 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3324 -0.5087 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2006 -0.3853 1.2776 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4911 -1.9193 -0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7514 -1.9019 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9482 -3.0452 0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8536 -1.1846 1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8691 2.0791 -1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5900 3.1877 -1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0955 2.7423 -0.0604 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9422 2.5317 1.1924 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2364 0.9185 1.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1155 1.2720 1.7916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0150 1.9772 0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5080 -0.9110 1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4005 -1.4682 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8594 -0.6121 -1.8616 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4649 0.2453 -2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1456 1.4613 -1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7549 0.1707 -0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0367 0.5537 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1549 -1.2818 1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2566 -0.3346 0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5717 -2.2984 -0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3801 -1.9502 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7800 -2.5915 0.3837 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