Monomers
1-(4-Vinylphenyl)-1-butanol
Identifiers
IUPAC name
1-(4-ethenylphenyl)butan-1-ol
InchI
InChI=1S/C12H16O/c1-3-5-12(13)11-8-6-10(4-2)7-9-11/h4,6-9,12-13H,2-3,5H2,1H3
InchI Key
LAKSAUHDKCJSLP-UHFFFAOYSA-N
SMILES
CCCC(c1ccc(cc1)C=C)O
Canonical SMILES
CCCC(C1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCCC(C1=CC=C(C=C1)C=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H16O
Heavy Atom Count
13
Molecular Weight
176.259
Exact Molecular Weight
176.1201
Valence Electrons
70
Radical Electrons
0
tPSA
20.23
MolLogP
3.1631
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
29 29 0 0 0 0 0 0 0 0999 V2000
-3.3114 -0.8843 0.9976 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7577 -1.0887 -0.4043 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4744 0.1988 -1.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4892 1.0969 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1185 0.5778 -0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7796 1.2654 0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0854 0.8618 0.6875 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5708 -0.2488 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7014 -0.9427 -0.7845 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3922 -0.5179 -0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9325 -0.7492 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8120 -0.1430 0.9195 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4377 2.3193 -1.1061 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7878 -1.8458 1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4150 -0.7904 1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9689 -0.0165 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5905 -1.5794 -0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9687 -1.8196 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1846 -0.0686 -2.1513 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4618 0.7193 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8942 1.3803 0.5869 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4581 2.1436 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7628 1.4249 1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0825 -1.8157 -1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2123 -1.0944 -1.6053 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2636 -1.6393 -0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8407 -0.5456 0.9892 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6142 0.7334 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2229 3.0685 -0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
8 11 1 0
11 12 2 3
4 13 1 0
10 5 1 0
1 14 1 0
1 15 1 0
1 16 1 0
2 17 1 0
2 18 1 0
3 19 1 0
3 20 1 0
4 21 1 0
6 22 1 0
7 23 1 0
9 24 1 0
10 25 1 0
11 26 1 0
12 27 1 0
12 28 1 0
13 29 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers