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
1.5629 1.1363 1.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8031 1.5638 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4035 0.4517 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8082 -0.7722 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7890 -0.3275 1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5032 -1.2368 0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1482 -0.1175 1.3065 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6176 0.7972 0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1058 0.3856 -0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3385 -1.1302 -0.7605 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9849 1.7477 1.8993 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5329 2.6266 0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8896 0.4977 -1.7813 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2113 -1.5088 -0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8161 -0.4598 0.5899 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7507 -0.8418 1.9806 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5491 -2.1922 0.9989 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2277 -0.0493 2.3895 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2326 1.6388 0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5582 0.8370 -1.7258 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3900 -1.3639 -0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8813 -1.6825 -1.5800 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