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
2.7227 0.7228 -0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4591 -0.0479 -0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4222 -1.2093 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0610 -1.7734 0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9666 -1.0626 -0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4184 -0.7416 -1.4913 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2319 0.4784 -0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9501 0.4463 0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1684 1.0701 -0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6634 0.8647 1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5853 0.1548 0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9139 0.9103 -1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6357 1.7206 0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3103 -1.7529 0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1961 -1.6532 1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0324 -2.8375 0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9673 -1.4890 -0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2973 -1.4718 -1.8752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2209 -0.4026 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3416 1.3529 -1.4482 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9362 1.6646 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9379 0.3026 -0.7491 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6530 1.7404 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4557 0.4184 2.1918 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3487 0.6327 1.8792 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8282 1.9620 1.5876 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