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
-2.7464 2.9229 -1.6805 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8171 1.7100 -2.2228 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1777 0.5915 -1.7706 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5247 0.4031 -0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5264 0.6019 0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0892 -1.0526 -0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2394 -1.3742 0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9366 -0.4457 0.8495 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9909 0.4472 -0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2870 1.2451 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2001 -1.2558 1.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4011 -0.3259 1.2014 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4259 -2.2707 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1605 3.1460 -0.8044 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2922 3.7702 -2.1101 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4658 1.6574 -3.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2913 -0.1198 1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4781 1.6152 0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5612 0.3544 0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9822 -1.6878 -0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5148 -1.2806 -1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7856 -1.4472 1.6431 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1577 -2.4160 0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8420 0.1861 1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8215 1.1820 -0.2548 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1409 -0.0854 -1.2847 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2325 1.8931 -1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3506 1.9112 0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0917 -1.7853 2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1953 0.3026 2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2819 -0.9506 1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6163 0.2393 0.2753 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3055 -3.2970 0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6697 -2.1565 -0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4456 -2.2279 -0.4722 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