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
4.2263 0.8095 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8191 0.4937 0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6062 0.9072 0.8309 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4310 0.1161 0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7282 -1.1093 1.7211 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3767 0.9052 1.5373 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8160 1.1658 0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2711 -0.2251 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2897 -0.7123 -0.8103 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1226 -0.3195 -0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6682 -0.0925 -0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2419 -1.4000 -0.7913 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8037 0.9527 -1.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6176 1.4024 -1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1922 0.4830 -1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4457 -0.1037 1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6680 -1.5866 1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9215 -1.8819 1.5635 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7611 -0.8026 2.7869 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7258 1.9177 1.8791 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0140 0.4032 2.4682 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4934 1.7738 -0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6198 1.6606 1.2102 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2784 -0.8745 1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4150 -1.8320 -0.8511 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6399 -0.3601 -1.8074 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7747 -1.1832 -0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4001 0.4809 -1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3066 0.2454 0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3648 -1.2897 -0.7315 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0338 -1.5968 -1.8601 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9599 -2.2257 -0.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3402 1.8651 -1.0319 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8440 1.2866 -1.8165 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4160 0.5704 -2.2394 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