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
-2.1215 0.3824 0.7435 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9461 0.5601 -0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1667 -0.1143 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3429 0.0441 -0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4516 -0.6349 -0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7687 -0.4722 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8376 0.1841 1.8011 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7182 1.3360 0.6962 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9640 1.2521 -0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2214 -0.8235 0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3410 0.7267 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3337 -0.5285 -1.1279 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4988 -1.3337 0.3151 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