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
4.1468 0.1732 0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1116 -0.3009 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3242 0.5628 -0.8986 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8767 0.6718 -0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1687 -0.6594 -0.4821 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2333 -0.4023 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5123 -0.4519 1.2866 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7948 -0.2232 1.7523 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7626 0.0524 0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4898 0.1031 -0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2286 -0.1215 -0.9983 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4318 1.2001 0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7127 -0.4729 1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8141 -1.3375 0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4024 0.2290 -1.9592 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7432 1.5876 -0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3706 1.3144 -1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8318 1.1007 0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2181 -1.1626 -1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5904 -1.3847 0.2414 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7510 -0.6685 2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0275 -0.2591 2.8087 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7636 0.2313 1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2659 0.3227 -1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9138 -0.1047 -2.0283 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