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
-2.1309 0.6223 -0.6599 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7845 0.0519 -0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1263 0.2659 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4385 -0.3326 0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 -0.1517 1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4004 0.8699 0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1487 1.5527 -1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9070 -0.0998 -1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5318 -0.5885 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1776 0.9019 1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6713 -0.9543 -0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1120 0.4894 1.9283 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3591 -0.6057 0.9959 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