Monomers
Dicyclopentadiene
Identifiers
IUPAC name
tricyclo[5.2.1.02,6]deca-3,8-diene
InchI
InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2
InchI Key
HECLRDQVFMWTQS-UHFFFAOYSA-N
SMILES
C1=CC2C(C1)C1C=CC2C1
Canonical SMILES
C1C=CC2C1C3CC2C=C3
Isomeric SMILES
C1C=CC2C1C3CC2C=C3
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H12
Heavy Atom Count
10
Molecular Weight
132.206
Exact Molecular Weight
132.0939
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
2.3846
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
3
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
3
Aromatic Rings
0
MOL File
RDKit 3D
22 24 0 0 0 0 0 0 0 0999 V2000
2.0924 0.1476 0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3302 -0.8166 0.9078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2331 -1.1295 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3427 0.0034 -1.0925 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6601 0.6355 -0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8385 0.8564 -0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7595 1.2565 0.7265 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0022 0.2131 1.5104 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1071 -0.9607 0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8819 -0.2746 -0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9647 0.5512 0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4427 -1.3441 1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3844 -2.0792 -0.5718 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1715 -0.3671 -2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6920 1.7243 -0.9861 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3800 0.2204 -1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1250 1.6192 -1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5389 2.2437 1.1026 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1169 0.1131 2.5727 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 -1.8199 0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8414 0.1142 -0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8972 -0.9066 -1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 1 0
4 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
5 1 1 0
10 6 1 0
9 3 1 0
1 11 1 0
2 12 1 0
3 13 1 0
4 14 1 0
5 15 1 0
5 16 1 0
6 17 1 0
7 18 1 0
8 19 1 0
9 20 1 0
10 21 1 0
10 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers