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
-4.1151 -0.3661 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6321 0.6504 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1412 0.8559 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3828 -0.3995 -0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0628 -0.1770 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6004 1.0870 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9635 1.3086 -0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8528 0.2348 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3328 -1.0299 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9607 -1.2261 -0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2882 0.4554 -0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2025 -0.4751 -0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6786 -1.4458 0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4420 -0.5666 1.8038 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2352 -1.3427 0.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1420 -0.1435 1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9335 0.4362 -1.0485 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0945 1.6288 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7479 1.3154 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9321 1.5718 -0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6381 -0.7590 -1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0479 1.9287 -0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3928 2.2888 -0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9957 -1.8756 -0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6246 -2.2484 -0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6413 1.4959 -0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9695 -1.5170 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2431 -0.2033 -0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9678 -1.4822 1.2616 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