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
-2.2661 -0.2139 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9405 0.4034 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1888 -0.2009 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4738 0.4388 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5957 -0.1622 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0541 0.5652 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3682 -0.9007 -0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5340 -0.7652 1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8839 1.4459 0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1171 -1.2340 -0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5017 1.4755 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6241 -1.1946 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5455 0.3427 -0.1839 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