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
3.3497 -0.1159 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5722 -0.0868 -1.1588 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2900 -0.5627 -1.2062 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4129 -0.6397 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1433 0.6907 0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9589 1.4819 -0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1242 0.6690 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0974 -0.7504 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8081 -1.4007 -0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0036 -0.5402 0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3501 0.2841 -0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9750 0.3446 -2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9493 -1.2603 0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0608 1.3114 0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0395 0.5824 1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5924 2.0709 -0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2936 2.2313 0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0720 1.1288 -0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2155 0.6557 -1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9155 -1.2910 -0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3236 -0.8354 0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8236 -2.4388 -0.0818 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8425 -1.5288 -1.6020 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