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
-2.9964 -0.9376 0.6525 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8679 -0.3135 -0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9062 0.8425 -0.7424 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5337 0.4896 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4291 0.1848 -1.3007 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7277 -0.1490 -0.9431 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1322 -0.1955 0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1509 0.1154 1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1272 0.4427 0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4776 -0.5385 0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4135 -0.8319 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3797 1.9495 -0.0403 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0845 -0.2408 1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9531 -1.5374 0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1890 -1.7005 0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5400 -1.0926 -1.4093 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8547 0.0689 -1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8697 1.1679 -1.8231 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1546 0.2090 -2.3456 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4338 -0.3774 -1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4624 0.0813 2.3764 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8786 0.6816 1.7007 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6983 -0.5475 1.8595 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4220 -1.0886 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2500 -0.8379 -1.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5714 2.4584 0.2592 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