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
4.5823 -1.0968 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3739 -1.1799 0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2737 -0.7360 -0.4945 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4903 0.3841 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3993 1.5905 -0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3859 0.5127 -1.1381 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9074 1.0006 -0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3674 0.2513 0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3095 -0.7238 1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9685 0.1070 1.2678 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7055 -0.4151 0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7437 -1.4113 -0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8052 0.5762 0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4516 -1.4406 0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7077 -0.6828 -1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2359 -1.5938 1.1753 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2612 2.2208 0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2130 2.2437 -1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4792 1.2939 -0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7242 1.2639 -1.8831 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2150 -0.4407 -1.6854 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7985 2.0998 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6813 0.9047 -1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 0.9864 1.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0506 -1.4521 0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5616 -1.3006 1.9626 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6423 1.0732 1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7157 -0.4213 1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9056 -0.9724 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7672 -1.6985 -1.0396 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3045 -2.3418 -0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3308 -1.0197 -1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9246 0.8774 -0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7607 0.0772 0.5606 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7096 1.4638 0.9474 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