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
-2.2032 0.2031 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8617 0.6372 0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1492 -0.2191 -0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4847 0.1917 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4665 -0.6487 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9643 0.7167 0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3323 -0.8919 -0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4334 0.3722 -1.3475 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6885 1.6090 0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0022 -1.1895 -0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6357 1.1844 0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2886 -1.6056 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4564 -0.3595 0.4028 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