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
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
2.1942 -0.2762 0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7702 -0.0612 0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1321 0.0035 -0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5430 0.2089 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3727 0.2596 -1.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3043 -0.8347 -0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7237 0.7051 0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6850 -0.8167 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5100 0.0393 1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2093 -0.1082 -1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9095 0.3209 0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4442 0.4142 -0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9952 0.1456 -2.0706 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