Monomers
4-Phenyl-1-butene
Identifiers
IUPAC name
but-3-enylbenzene
InchI
InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2
InchI Key
PBGVMIDTGGTBFS-UHFFFAOYSA-N
SMILES
C=CCCc1ccccc1
Canonical SMILES
C=CCCC1=CC=CC=C1
Isomeric SMILES
C=CCCC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H12
Heavy Atom Count
10
Molecular Weight
132.206
Exact Molecular Weight
132.0939
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
2.8052
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
22 22 0 0 0 0 0 0 0 0999 V2000
3.9782 0.1735 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9425 -0.6202 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5830 -0.3507 0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6381 -0.1798 -0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7459 0.0919 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3041 1.3259 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6340 1.4805 0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4584 0.3798 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9160 -0.8777 0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5939 -1.0085 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9222 -0.0797 -0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8778 1.0517 0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0298 -1.5033 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6815 0.4702 1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3232 -1.2620 1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0050 0.6593 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6871 -1.0819 -1.2401 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6893 2.1779 -0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0572 2.4644 0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5194 0.4915 0.6032 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5448 -1.7763 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2053 -2.0266 -0.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
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
10 5 1 0
1 11 1 0
1 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
6 18 1 0
7 19 1 0
8 20 1 0
9 21 1 0
10 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers