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
4.2912 1.1058 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7218 0.6343 -1.0684 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6381 -0.1718 -1.1756 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6056 -0.4030 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0568 -0.9720 1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9530 0.9323 0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3326 0.7006 0.7762 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2466 -0.0781 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6902 -1.4470 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6747 -1.3884 -0.8947 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6313 0.0108 0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6843 -0.6910 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9818 1.5016 0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1550 1.7419 -0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8930 0.8568 0.9721 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1836 0.9305 -2.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9933 -0.2380 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0735 -1.3826 0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4060 -1.8250 1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6337 1.5482 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6899 1.3799 -0.9525 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8418 1.6222 1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1486 0.1014 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1866 0.4278 -1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6825 -2.0181 0.6506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3080 -2.0532 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1644 -2.3846 -0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5893 -1.1506 -1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6720 -0.3562 1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4762 -1.1457 0.2705 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2374 0.0303 -1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3422 -1.4998 -1.0451 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0502 1.6765 0.2035 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3905 2.0918 -0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8202 1.9123 1.4606 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