Monomers
1-(4-Vinylphenyl)-1-propanol
Identifiers
IUPAC name
1-(4-ethenylphenyl)propan-1-ol
InchI
InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h3,5-8,11-12H,1,4H2,2H3
InchI Key
FNYDFLXPKVRBLU-UHFFFAOYSA-N
SMILES
CCC(c1ccc(cc1)C=C)O
Canonical SMILES
CCC(C1=CC=C(C=C1)C=C)O
Isomeric SMILES
CCC(C1=CC=C(C=C1)C=C)O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
20.23
MolLogP
2.773
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
26 26 0 0 0 0 0 0 0 0999 V2000
-2.9651 -0.8463 0.5552 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8451 0.2543 -0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7989 1.2777 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4700 0.6566 0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0846 -0.0445 1.2419 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1665 -0.5996 1.3301 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1003 -0.4858 0.3044 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7385 0.2084 -0.8243 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4559 0.7626 -0.8839 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4174 -1.0816 0.4208 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2977 -0.9856 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2083 1.9650 1.0925 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1258 -0.4411 1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0700 -1.4901 0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9095 -1.4090 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4895 -0.2163 -1.4093 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8097 0.7542 -0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7428 2.0206 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7880 -0.1451 2.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4801 -1.1561 2.2148 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4267 0.3253 -1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2231 1.2955 -1.7884 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6342 -1.6216 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1834 -0.4879 -1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2799 -1.4606 -0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0964 2.9508 0.9907 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 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
7 10 1 0
10 11 2 3
3 12 1 0
9 4 1 0
1 13 1 0
1 14 1 0
1 15 1 0
2 16 1 0
2 17 1 0
3 18 1 0
5 19 1 0
6 20 1 0
8 21 1 0
9 22 1 0
10 23 1 0
11 24 1 0
11 25 1 0
12 26 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers