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
-1.5550 0.0705 -0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2526 0.3459 0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0279 0.2188 1.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0039 -0.1857 0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2339 -0.3066 0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6185 0.2401 -1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8830 0.6806 -1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3180 -1.0150 -1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0765 0.6444 1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2239 0.4123 2.0436 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7651 -0.3823 -0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4965 -0.1163 1.5833 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0082 -0.6066 -0.1081 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