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
-2.2427 0.0642 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9748 0.6239 0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1681 -0.0055 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4399 0.4931 0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5612 -0.1551 0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0408 0.8191 -0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0808 -0.4775 -1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5984 -0.6675 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9950 1.5584 0.6325 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1786 -0.9538 -0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4670 1.4250 0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5117 0.2183 0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6059 -1.1095 -0.3199 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