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
-1.8872 -0.3358 -0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0410 0.8168 -0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2778 0.7930 -0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0427 -0.3821 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3535 -0.3898 0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4571 -0.9532 0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8697 0.0203 0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1268 -0.9794 -0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5220 1.7382 -0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8481 1.6859 -0.6494 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4958 -1.2626 0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9485 -1.2507 0.2798 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9375 0.4995 -0.2601 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