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
-1.7486 -0.2813 -0.4818 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0723 0.9106 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2010 0.8293 0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9489 -0.3828 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2373 -0.4668 0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8155 -0.0583 -0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6709 -1.0790 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1879 -0.6728 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 1.7912 0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7195 1.6739 0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4739 -1.2871 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7909 -1.3651 0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7504 0.3883 0.7212 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