Monomers
1,3-Pentadiene
Identifiers
IUPAC name
(3E)-penta-1,3-diene
InchI
InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+
InchI Key
PMJHHCWVYXUKFD-SNAWJCMRSA-N
SMILES
C/C=C/C=C
Canonical SMILES
CC=CC=C
Isomeric SMILES
C/C=C/C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8
Heavy Atom Count
5
Molecular Weight
68.119
Exact Molecular Weight
68.0626
Valence Electrons
28
Radical Electrons
0
tPSA
0.0
MolLogP
1.7485
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
13 12 0 0 0 0 0 0 0 0999 V2000
-2.0471 1.0720 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6014 0.8509 -0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0910 -0.4063 -0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2200 -0.6786 -0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4969 -0.9440 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5473 0.7161 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3244 2.1261 -0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5163 0.5520 -0.9665 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0632 1.6593 0.1936 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9351 -1.1111 -0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0366 -2.0574 -0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1255 -1.7616 -0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1205 -0.0173 0.0711 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 2 3
1 6 1 0
1 7 1 0
1 8 1 0
2 9 1 0
3 10 1 0
4 11 1 0
5 12 1 0
5 13 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers