Monomers
cis-1,3-Pentadiene
Identifiers
IUPAC name
(3Z)-penta-1,3-diene
InchI
InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-
InchI Key
PMJHHCWVYXUKFD-PLNGDYQASA-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
-2.2756 -0.0027 -0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9080 -0.5148 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1716 0.2506 -0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5050 -0.3285 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5828 0.4137 -0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7221 -0.2604 0.9777 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2995 1.0936 -0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9512 -0.4868 -0.7663 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7796 -1.6025 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0119 1.3190 -0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6141 -1.3990 -0.0736 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4617 1.4861 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5888 0.0317 -0.2260 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