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
4.1414 -0.7914 0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8524 -0.1475 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6693 0.4898 -1.0561 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6058 0.5564 -0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1205 1.2590 1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4343 1.3398 -0.6838 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6913 1.2521 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2310 -0.1433 0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3083 -1.0508 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1200 -0.8385 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6378 -0.2607 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0895 -1.6973 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6036 0.6428 0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4579 -0.8894 1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1010 -1.2718 0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6141 -0.1114 -1.5809 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2019 1.4927 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9175 0.7148 2.0394 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6218 2.2638 1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1298 1.0059 -1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7623 2.3907 -0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4746 2.0023 0.1005 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2896 1.5257 1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2562 -0.5310 1.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5658 -2.1035 -0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4001 -0.9489 -1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0628 -0.9617 1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7250 -1.6252 -0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5969 -0.0297 -1.1857 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8951 -2.0035 1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2023 -1.7196 -0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5814 -2.3613 -0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6926 1.5825 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6197 0.1557 0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4022 0.8129 1.6454 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