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
-2.2035 0.4492 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0383 -0.2460 0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1841 0.0988 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3725 -0.5511 0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5534 -0.1433 0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6376 -0.2407 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9989 0.6278 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8784 1.4152 -0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1165 -1.0445 1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2757 0.9028 -0.7764 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3410 -1.3464 1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4838 -0.5783 0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6628 0.6564 -0.6598 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