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
2.1685 0.2943 -0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4879 1.2362 -0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4476 0.7182 0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4684 -0.7714 0.4157 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6598 -1.0374 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8562 -1.0503 -0.2392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8921 -0.8402 0.8123 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9061 0.4489 1.1235 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9342 1.1380 0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0493 0.2681 -1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0036 0.4860 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6735 2.3109 -0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6221 0.9306 1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4697 -1.3397 1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4795 -1.5356 0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4701 -1.6053 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9422 -1.9264 -0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5017 -1.6308 1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5129 0.9275 1.8754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0811 2.1781 0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2236 0.4493 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0516 0.3511 -1.4320 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