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
3.8731 2.1387 0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3489 0.9289 0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3516 0.5697 -0.5639 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5802 -0.5824 -0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4738 -1.8121 -0.6426 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6401 -0.5498 -1.7254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4445 0.4753 -1.3711 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4145 -0.2496 -0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6723 -1.2295 0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7340 -0.7314 0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2897 0.6602 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2034 -0.2601 1.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1668 1.5449 -0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6730 2.4913 0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5463 2.8427 -0.5863 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7451 0.2883 1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9286 -2.7156 -0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3103 -1.6630 0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7776 -1.8831 -1.6973 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1978 -1.5631 -1.8384 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1903 -0.2442 -2.6328 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0418 1.3393 -0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8856 0.8652 -2.3037 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0822 -0.8544 -1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2144 -1.3441 1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6189 -2.2490 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6220 0.1903 1.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1647 -1.5067 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6415 1.2650 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2370 0.1299 1.1635 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7582 -0.3258 2.1711 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2355 -1.2834 0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5732 1.0080 -1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0635 1.8010 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6979 2.5084 -0.7655 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