Monomers
2-Vinylnaphthalene
Identifiers
IUPAC name
2-ethenylnaphthalene
InchI
InChI=1S/C12H10/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h2-9H,1H2
InchI Key
KXYAVSFOJVUIHT-UHFFFAOYSA-N
SMILES
C=Cc1ccc2c(c1)cccc2
Canonical SMILES
C=CC1=CC2=CC=CC=C2C=C1
Isomeric SMILES
C=CC1=CC2=CC=CC=C2C=C1
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H10
Heavy Atom Count
12
Molecular Weight
154.212
Exact Molecular Weight
154.0783
Valence Electrons
58
Radical Electrons
0
tPSA
0.0
MolLogP
3.4828
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
2
MOL File
RDKit 3D
22 23 0 0 0 0 0 0 0 0999 V2000
3.5066 1.3355 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0408 0.2395 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6475 -0.1311 0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2342 -1.3342 0.9186 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0851 -1.6818 0.9002 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0396 -0.8631 0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6439 0.3263 -0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6856 0.6668 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5641 1.1918 -0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8919 0.8295 -0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2986 -0.3683 -0.2762 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3801 -1.2130 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8550 2.0494 -0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5895 1.5584 -0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7493 -0.4470 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9622 -1.9865 1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4679 -2.6069 1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9476 1.6205 -0.6727 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2008 2.1102 -1.2557 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6391 1.4790 -1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3496 -0.6230 -0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6578 -2.1520 0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
8 3 1 0
12 6 1 0
1 13 1 0
1 14 1 0
2 15 1 0
4 16 1 0
5 17 1 0
8 18 1 0
9 19 1 0
10 20 1 0
11 21 1 0
12 22 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers