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
-3.4384 2.2376 -0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5547 0.9347 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5494 0.1239 -0.7584 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6763 -0.6190 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3803 -1.6352 0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7719 -1.4094 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6561 -1.4164 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1981 0.0014 -0.5025 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1751 0.9776 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7989 0.2143 0.9289 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4824 0.1312 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5477 -0.7882 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9315 1.5671 0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5346 2.6626 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2141 2.9165 -0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4672 0.5309 0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5764 -2.3499 1.2418 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1323 -2.2253 0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7782 -1.1601 1.8211 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7475 -0.9519 -1.9334 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1378 -2.4470 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2399 -2.0228 -1.1389 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7688 -1.8680 0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4193 0.2210 -1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4624 1.3710 -0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6024 1.8068 0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2654 -0.4605 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3845 0.9677 1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2944 -0.1410 1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5276 -0.2901 -0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4386 -0.9260 -1.3247 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5218 -1.7519 0.3096 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0392 1.6621 0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5452 2.0901 1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4820 2.0462 -0.6462 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