Monomers
(Vinyloxy)cyclohexane
Identifiers
IUPAC name
ethenoxycyclohexane
InchI
InChI=1S/C8H14O/c1-2-9-8-6-4-3-5-7-8/h2,8H,1,3-7H2
InchI Key
VGIYPVFBQRUBDD-UHFFFAOYSA-N
SMILES
C=COC1CCCCC1
Canonical SMILES
C=COC1CCCCC1
Isomeric SMILES
C=COC1CCCCC1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H14O
Heavy Atom Count
9
Molecular Weight
126.199
Exact Molecular Weight
126.1045
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.4792
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
23 23 0 0 0 0 0 0 0 0999 V2000
3.1639 0.9567 -0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6898 -0.2207 -0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4382 -0.4112 -1.0446 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3338 -0.8824 -0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8731 -0.9838 -1.1686 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5128 0.4075 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2157 0.4749 0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2824 0.2160 1.3184 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1242 -0.0831 0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1408 1.0809 0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5572 1.8405 -0.3238 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3143 -1.0882 -0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6130 -1.9455 -0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5641 -1.2980 -2.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5704 -1.7115 -0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6772 1.1222 -1.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2423 0.5288 -1.9673 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0212 -0.2920 0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7107 1.4644 0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2885 1.1403 1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7213 -0.5793 1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6987 0.8706 0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6058 -0.6072 1.8145 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
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 4 1 0
1 10 1 0
1 11 1 0
2 12 1 0
4 13 1 0
5 14 1 0
5 15 1 0
6 16 1 0
6 17 1 0
7 18 1 0
7 19 1 0
8 20 1 0
8 21 1 0
9 22 1 0
9 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers