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
2.2259 1.6506 -0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3959 0.4801 -0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5755 -0.2147 1.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4178 -1.0077 1.5876 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5537 -1.2662 0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2754 -1.5205 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2997 0.0094 -0.9446 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0232 -0.0018 -0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1650 -0.2372 -1.1354 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2602 1.1657 0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9846 1.7755 0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7044 1.5642 -1.4038 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6015 2.5872 -0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5140 -0.2184 1.6213 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7672 -1.9979 1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0735 -0.5016 2.4526 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2865 -2.0527 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3450 -2.0293 -1.5544 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2669 -1.9544 -0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2929 0.3811 -1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6876 -1.1874 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8346 -0.3429 -2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9527 0.5651 -1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1795 0.9352 1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4326 1.3837 1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5276 2.0350 0.0508 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