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
3.0794 -0.6519 -1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4438 0.4794 -1.4116 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0803 0.5728 -1.6150 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2175 0.6234 -0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2344 0.7242 -0.9189 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0241 0.9051 0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9786 -0.4155 1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5674 -0.7936 1.4211 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3823 -0.6464 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1376 -0.6474 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5517 -1.5839 -1.2247 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9870 1.4322 -1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4246 1.5285 0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5971 -0.2098 -1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4295 1.5808 -1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4503 1.6334 0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0344 1.2666 0.2097 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5232 -0.2816 2.0657 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4266 -1.2404 0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5270 -1.8728 1.7423 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2041 -0.1881 2.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4235 -0.7248 0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2688 -1.4903 -0.4454 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