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
-2.2759 -0.1840 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9272 0.2181 -0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1834 -0.1034 0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4438 0.3175 -0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5556 0.0080 0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6269 0.4677 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0091 -0.2433 -0.7636 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1360 -1.2207 0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9177 0.7884 -1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1433 -0.6711 1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4875 0.8814 -1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5284 0.3127 -0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5507 -0.5711 1.2130 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