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
-2.2711 0.0178 -0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9038 -0.5080 -0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1705 0.2390 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4980 -0.3539 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5508 0.4246 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2825 1.1400 -0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7750 -0.4663 -1.1543 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8516 -0.2842 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7759 -1.5795 -0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0256 1.3035 0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6328 -1.4233 -0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4353 1.4956 0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5470 -0.0052 0.2932 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