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
-2.2817 0.0944 -0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9374 0.2030 0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1657 -0.0833 -0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4348 0.0482 0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5778 -0.2219 -0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1455 -0.4451 -1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9102 -0.4852 0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7721 1.0647 -0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8486 0.5232 1.4715 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1729 -0.4126 -1.2334 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4416 0.3830 1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6011 -0.5497 -1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5018 -0.1187 0.4361 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