Monomers
5-Phenyl-1-pentene
Identifiers
IUPAC name
pent-4-enylbenzene
InchI
InChI=1S/C11H14/c1-2-3-5-8-11-9-6-4-7-10-11/h2,4,6-7,9-10H,1,3,5,8H2
InchI Key
RURREWSZSUQSNB-UHFFFAOYSA-N
SMILES
C=CCCCc1ccccc1
Canonical SMILES
C=CCCCC1=CC=CC=C1
Isomeric SMILES
C=CCCCC1=CC=CC=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H14
Heavy Atom Count
11
Molecular Weight
146.233
Exact Molecular Weight
146.1096
Valence Electrons
58
Radical Electrons
0
tPSA
0.0
MolLogP
3.1953
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
25 25 0 0 0 0 0 0 0 0999 V2000
4.0592 -0.0652 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0826 0.1522 0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4581 -0.9737 -0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9734 -1.1145 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2856 0.1380 -0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1742 0.1014 -0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9704 -0.3851 -1.3236 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3446 -0.4462 -1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9274 -0.0082 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1603 0.4852 1.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7886 0.5307 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5495 0.7241 1.8133 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3798 -1.0707 1.4324 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7643 1.1811 0.2198 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9445 -1.9244 -0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6494 -0.8877 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8207 -1.2343 1.0327 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5663 -2.0013 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7604 1.0005 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4798 0.2452 -1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5809 -0.7446 -2.2665 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9964 -0.8258 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0140 -0.0572 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6360 0.8300 1.9332 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1809 0.9266 1.6736 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 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 6 1 0
1 12 1 0
1 13 1 0
2 14 1 0
3 15 1 0
3 16 1 0
4 17 1 0
4 18 1 0
5 19 1 0
5 20 1 0
7 21 1 0
8 22 1 0
9 23 1 0
10 24 1 0
11 25 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers