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
2.7421 -0.1202 0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4497 0.1296 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1914 1.2806 -0.5632 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1821 1.5204 -1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9369 0.2484 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1069 -0.9633 -1.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4148 -0.9220 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9293 -0.3209 0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0367 -1.3005 0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9221 0.7117 1.4584 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5566 -0.3387 -0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1026 0.8168 1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7174 -0.9371 1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8939 2.1018 -0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0922 1.7750 -2.2291 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5974 2.3566 -0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9148 0.1859 -1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6787 -1.8689 -1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7029 -0.7471 -2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6581 -1.8823 0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8722 -2.2330 -0.0198 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9647 -0.8403 0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2947 -1.4623 1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1704 0.1870 2.4137 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7656 1.4134 1.2759 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0351 1.2097 1.6125 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