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
-3.0221 -1.6322 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9067 -0.4978 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9469 0.5727 0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5381 0.1915 0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4082 1.1157 -0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7543 0.8028 -0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1574 -0.4828 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2159 -1.4562 0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1193 -1.0815 0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5496 -0.8459 -0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4825 0.0060 -0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1106 1.6540 1.1346 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2569 -1.6741 -1.1519 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9821 -2.5861 0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0175 -1.5689 -0.9144 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9377 -0.0648 0.7303 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6517 -0.8608 1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3032 1.0071 -0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0868 2.1169 -0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4595 1.5769 -0.6536 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5650 -2.4553 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7925 -1.8569 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8565 -1.8713 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3521 1.0487 -0.7936 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5440 -0.3119 -0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8466 2.5119 0.7134 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