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
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
1.7819 0.3625 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0295 0.2190 -0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2550 -0.0409 -0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9383 -0.1874 0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2351 -0.4501 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8420 0.6428 0.1583 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7654 -0.6207 0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2315 1.0972 0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5351 0.3276 -1.9086 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8073 -0.1464 -1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3892 -0.0828 1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8186 -0.5619 -0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7420 -0.5587 1.4263 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