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
-2.2866 -0.1946 0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8684 -0.2885 0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1375 0.1184 -0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5128 0.0019 0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5403 0.3958 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6072 -1.1358 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9646 -0.0783 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4055 0.6479 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6620 -0.7152 1.6233 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0911 0.5433 -1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7021 -0.4283 1.3292 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5503 0.2955 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4424 0.8378 -1.3536 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