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
-2.2222 -0.2939 0.5007 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8180 -0.6698 0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1289 0.2496 0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4859 -0.1448 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4453 0.7652 0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6978 -1.1628 0.9927 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2311 0.5847 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7279 -0.0624 -0.4707 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6178 -1.6785 -0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1145 1.2663 0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6789 -1.1669 -0.3041 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2044 1.7726 0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4859 0.5407 -0.1304 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