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
1.6540 -0.3615 -1.4291 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7353 0.3761 -0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1496 -0.1876 0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0305 0.5767 1.1097 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8966 -0.0074 1.8971 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9691 -1.3004 -0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1381 -0.5791 -2.3907 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5778 0.2219 -1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7877 1.4511 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2342 -1.2750 0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9741 1.6441 1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5724 0.5395 2.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0048 -1.0984 1.9592 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