Monomers
alpha-Pinene
Identifiers
IUPAC name
2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
InchI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
InchI Key
GRWFGVWFFZKLTI-UHFFFAOYSA-N
SMILES
CC1=CCC2CC1C2(C)C
Canonical SMILES
CC1=CCC2CC1C2(C)C
Isomeric SMILES
CC1=CCC2CC1C2(C)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H16
Heavy Atom Count
10
Molecular Weight
136.238
Exact Molecular Weight
136.1252
Valence Electrons
56
Radical Electrons
0
tPSA
0.0
MolLogP
2.9987
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
26 27 0 0 0 0 0 0 0 0999 V2000
2.6139 -1.0720 -0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4138 -0.3330 0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1293 -0.0626 1.4692 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1239 0.7071 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8230 1.0659 0.5467 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2066 1.6149 -0.4532 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4594 0.1426 -0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9787 -0.0948 -0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2480 -1.4284 0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9149 0.2145 -1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2532 -0.3610 -0.8153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2502 -1.3919 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3863 -1.9025 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7647 -0.3717 2.2887 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7762 0.1400 2.4951 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2227 1.6359 2.3151 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7083 1.7008 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0513 2.1038 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2450 2.2040 -1.2755 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7034 -0.0377 -1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3380 -1.6229 0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9951 -1.4911 1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7501 -2.2401 -0.3484 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3759 -0.7443 -1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7437 0.9048 -1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4339 0.7196 -2.3846 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
8 10 1 0
7 2 1 0
8 5 1 0
1 11 1 0
1 12 1 0
1 13 1 0
3 14 1 0
4 15 1 0
4 16 1 0
5 17 1 0
6 18 1 0
6 19 1 0
7 20 1 0
9 21 1 0
9 22 1 0
9 23 1 0
10 24 1 0
10 25 1 0
10 26 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers