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
-1.7729 -0.2265 -0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0569 0.9880 -0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2317 1.1123 -0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9773 0.1105 0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 0.2006 0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4154 -1.1337 -0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8665 -0.1159 -0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5443 -0.3670 0.9549 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6481 1.7144 -1.1593 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7394 1.9922 -0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4395 -0.7575 0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7877 -0.5729 1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8595 1.0446 0.2483 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