Monomers
1,3-Pentadiene
Identifiers
IUPAC name
(3E)-penta-1,3-diene
InchI
InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+
InchI Key
PMJHHCWVYXUKFD-SNAWJCMRSA-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
-1.6418 0.2495 1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2470 -0.0540 -0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0084 -0.0838 -0.6106 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3474 -0.1164 -0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2063 0.1469 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3446 1.2792 1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1249 -0.4082 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7154 0.1673 1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0730 -0.2016 -1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3159 -0.3317 -1.9334 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8784 -0.3437 -1.7919 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2658 0.1099 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7730 0.3761 1.0918 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