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
4.1254 1.5832 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1501 1.3763 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8261 0.1189 -0.5008 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6017 -0.5287 -0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7683 -1.9297 -0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5393 0.2014 -1.1722 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2337 1.0886 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1392 0.1857 0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3664 -1.0468 0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1201 -0.6750 1.0427 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3762 -0.0719 -0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0454 1.2553 -0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3574 -0.9708 0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4223 2.5759 1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6849 0.7492 1.1467 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6132 2.2185 -0.5044 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7828 -2.2789 -1.3019 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1485 -2.5632 -0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4827 -1.8409 -1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9936 0.8318 -1.9691 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1049 -0.5520 -1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8697 1.8182 -0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4744 1.6425 0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3622 0.7187 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6553 -1.3918 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5014 -1.8608 0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6934 -1.5039 1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 0.2145 1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0858 -0.5488 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7018 2.0650 0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1435 1.1551 -0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8301 1.5827 -1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.8114 1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0076 -0.3950 1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0330 -1.4118 -0.2718 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