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
3.7273 -0.3921 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5882 -0.1818 -0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4945 0.3150 0.3859 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3480 0.7465 -0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7398 1.2518 0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6404 0.1738 1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1236 -0.7732 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5991 -0.3100 -1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0816 -0.3908 -1.2314 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8449 -0.1898 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6030 -0.7777 -0.1749 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5576 -0.4103 -1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6970 1.5623 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3974 1.9485 -0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3293 1.8050 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1669 -0.3705 1.9418 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5338 0.6874 1.4956 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2407 -0.7748 -0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7654 -1.8011 0.1507 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8804 -1.0790 -2.1113 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9532 0.6958 -1.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4218 -0.4011 -2.1939 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1692 -1.3339 -0.6970 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