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
2.3400 1.3841 -0.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3825 0.3351 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7435 -0.5425 0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6641 -1.3653 1.1655 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6111 -1.2376 0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2581 -1.2816 -1.0866 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0309 0.2195 -0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0372 0.1826 0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4126 0.2153 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8622 1.1507 1.2648 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4323 1.2686 -1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0457 2.3943 -0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3423 1.1815 -0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7618 -0.6789 0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5520 -1.1684 2.2531 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9937 -2.4335 1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3926 -1.9535 0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6375 -1.8888 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1350 -1.4945 -1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2115 0.8257 -1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9640 1.1120 -0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0122 -0.6868 -0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3739 0.1821 -1.5541 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1077 1.6648 1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1289 0.6532 2.2373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6346 1.9620 1.1520 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