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
-1.9141 -0.0309 0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9494 0.8478 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3431 0.6398 -0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9903 -0.4606 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2995 -0.6483 0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6099 -1.0982 0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9257 0.2726 1.5771 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9364 0.0798 0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3738 1.6863 -0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9817 1.3195 -0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3552 -1.1420 1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9746 0.0088 -0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7649 -1.4745 0.9760 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