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
2.6383 -0.9238 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4724 -0.0256 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3019 1.0065 -0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0913 1.4895 -1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9441 1.1430 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0465 1.2281 1.2311 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3785 -0.2007 0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9615 -0.3548 0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0251 -1.2027 -1.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9951 -0.7906 1.2272 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3062 -0.7206 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1696 -0.7555 -1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3282 -1.9845 -0.2035 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1588 1.4627 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0280 2.6082 -1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4996 1.1526 -2.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8977 1.6584 0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6043 1.3055 2.1644 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7516 1.9687 1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6204 -0.8386 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1062 -1.2950 -1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4053 -0.8648 -1.8381 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7184 -2.2369 -0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8348 -1.8646 1.4538 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9558 -0.2435 2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0123 -0.7210 0.7717 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