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
-2.2663 0.1385 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9139 0.4640 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1691 -0.2114 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4742 0.1708 -0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5707 -0.5098 -0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7844 1.0911 0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2781 -0.5013 0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8783 -0.3392 -0.7484 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8109 1.3583 -1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0739 -1.0865 0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5963 1.0596 -1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5549 -0.2461 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4929 -1.3880 0.3004 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