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
4.2831 -0.7602 -1.4748 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0430 -1.0650 -1.0966 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0446 -0.1078 -1.0061 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4917 0.2976 0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6507 0.8613 1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4492 1.3367 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8320 1.1333 0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3762 -0.2475 0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3670 -1.2692 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9330 -0.9359 0.8996 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6675 -0.3622 -0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5488 0.0672 -1.5591 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8082 0.3369 0.5319 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5271 0.2517 -1.7185 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0174 -1.5305 -1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7772 -2.0734 -0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3614 1.4024 0.3929 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1910 0.0047 1.5025 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2887 1.5601 1.8276 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8577 2.3233 0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2188 1.4097 -1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6893 1.5162 1.7498 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5892 1.8198 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6345 -0.5537 1.6977 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2083 -1.1977 -0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6585 -2.2791 0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6661 -0.7241 1.9565 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6610 -1.7579 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9208 -1.4608 -0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7056 1.1773 -1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6431 -0.2569 -2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4141 -0.3832 -2.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7644 -0.1045 0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7674 0.1501 1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8668 1.4214 0.2984 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