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
3.6437 -0.2836 1.4094 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9514 -0.3792 0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5085 -0.6294 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8105 0.5247 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6604 0.3383 -0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4330 0.8218 0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8058 0.6838 0.5845 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3975 0.0310 -0.4782 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6362 -0.4562 -1.5142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2591 -0.3088 -1.5255 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7201 -0.0959 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1151 -0.3949 2.3371 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4619 -0.2705 -0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1535 -0.7982 1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2474 -1.5444 -0.3266 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0454 1.4725 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2327 0.6144 -1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9942 1.3464 1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4090 1.0767 1.4179 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4863 -0.0709 -0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1078 -0.9670 -2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7010 -0.7107 -2.3659 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