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
3.6247 1.4387 0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5331 1.7543 -0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6228 0.9045 -0.8197 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4986 -0.4764 -0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7189 -1.2389 -0.9826 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3321 -1.0110 -1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9779 -0.9056 -0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0005 0.4225 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0393 0.3869 1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1007 -0.6640 0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3688 0.7984 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9666 -0.1818 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2966 0.8968 -0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9530 0.4232 0.5614 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2743 2.2168 0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3024 2.8293 -0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2350 -1.7438 -0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4843 -2.0648 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4118 -0.5767 -1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2440 -0.4359 -2.3612 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4836 -2.0715 -1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7825 -0.9763 -1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1197 -1.7572 0.0376 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6927 1.1897 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5793 1.3549 1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3867 0.1716 2.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7208 -1.6888 1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9695 -0.5167 1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3691 1.7957 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7771 -1.2334 1.2271 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6919 0.0171 2.5638 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0786 -0.0467 1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2075 1.4873 -0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8237 1.4567 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5881 -0.1395 -0.9178 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