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
-1.8954 0.0516 0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8251 0.9267 0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4395 0.6514 0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9051 -0.5412 -0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1997 -0.7849 -0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8630 0.5954 0.0776 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6563 -0.2488 -0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0723 -0.8265 0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1460 1.8170 1.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1773 1.3335 0.9923 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2100 -1.2340 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9352 -0.0977 0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5912 -1.6425 -0.7455 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