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
3.4206 0.0902 0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4666 -0.1897 -0.6971 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3200 -0.8052 -0.2187 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4456 -0.0819 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0481 1.1302 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0654 0.6545 -1.1336 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2801 0.2435 -0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8668 -1.0517 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6452 -0.9011 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3273 -0.1453 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3359 0.5710 -0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6028 0.0651 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0770 0.3079 1.4869 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7290 1.6637 -0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5680 1.7780 0.6496 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3233 1.4249 -1.8602 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6287 -0.2709 -1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1628 0.1115 -0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4074 0.9879 0.5356 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7211 -1.3222 1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8127 -1.8382 -0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9423 -0.4887 2.2022 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2528 -1.9333 1.4357 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