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
-1.8530 0.0359 0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8639 -1.0449 0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4127 -0.8172 -0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8765 0.5611 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1539 0.7944 -0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8550 -0.3625 0.3998 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8439 0.7800 -0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5463 0.5856 1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2125 -2.0646 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1020 -1.6385 -0.2485 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2128 1.3958 0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5705 1.7947 -0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8462 -0.0199 -0.3532 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