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
4.3460 -0.1433 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8818 -1.0424 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7166 -1.0164 -0.6738 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6171 -0.1619 -0.5275 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9826 1.2744 -0.7463 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6230 -0.5603 -1.5971 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7176 0.1033 -1.4521 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3024 -0.2796 -0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3707 0.1927 0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9897 -0.4175 0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6455 0.3408 0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6788 -0.0503 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0534 -0.0040 1.5516 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7805 0.7716 1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2972 -0.2582 1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5161 -1.9265 -0.1449 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0249 1.3744 -1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3262 1.7431 -1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8673 1.8941 0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0599 -0.1819 -2.5677 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5439 -1.6578 -1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3597 -0.3495 -2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6258 1.1831 -1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3822 -1.3791 -0.0882 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7942 -0.1612 1.9296 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2839 1.2855 0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6117 -0.0523 1.6597 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8577 -1.5254 0.8976 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5650 1.4552 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6553 0.3566 -0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4357 0.5285 -1.8125 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7476 -1.1259 -1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6741 -0.9962 1.8784 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5999 0.7307 2.2803 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1505 0.0559 1.6290 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