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
2.2012 0.5389 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0222 -0.3206 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2018 0.1591 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3662 -0.6818 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5668 -0.1753 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9523 -0.0911 0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6298 0.9611 -0.7291 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8842 1.4149 0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1465 -1.3622 -0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3164 1.2023 0.2843 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2567 -1.7235 -0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6972 0.8559 0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4309 -0.7777 -0.3264 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