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
4.2901 1.3314 -1.5082 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4228 0.9508 -0.5926 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3170 0.2375 -0.9463 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5579 -0.5776 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4572 -1.6855 0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9552 0.1582 1.0645 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2661 0.9505 0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2881 0.1193 -0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8067 -1.2987 -0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5060 -1.2801 -0.9199 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6252 0.2672 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9919 1.7379 0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7160 -0.5202 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1106 1.0699 -2.5382 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1765 1.8945 -1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6480 1.2407 0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8138 -2.6006 0.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8632 -1.4114 1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2341 -1.9437 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6611 0.8466 1.5235 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6662 -0.5890 1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0869 1.8216 0.0682 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7144 1.3717 1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3516 0.4977 -1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5206 -1.8841 -0.7585 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6846 -1.7719 0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7992 -2.3089 -1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3046 -0.6659 -1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5308 -0.0777 1.6682 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5578 2.0644 1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0730 2.3548 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6045 1.8701 -0.3873 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6780 0.0158 0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8416 -1.5107 0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6195 -0.6745 -1.1104 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