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
2.0765 -0.6583 -0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7485 0.0036 -0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1314 -0.0634 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4150 0.5865 0.1122 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2839 0.5174 1.0908 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2191 -1.1305 0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2491 -1.3894 -1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8855 0.1072 -0.7212 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4952 0.5476 -1.6395 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1076 -0.6114 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6505 1.1222 -0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2461 0.9898 1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0546 -0.0214 1.9992 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