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
2.2422 -0.0043 -0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8623 -0.2988 -0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1693 0.0882 0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5431 -0.1628 -0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5066 0.2528 0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8369 0.3330 -1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7831 -0.9194 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2972 0.7894 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7332 -0.8441 -1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0309 0.6219 1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7321 -0.6968 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3117 0.7835 1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5229 0.0575 0.2893 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