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
2.3966 -1.4133 0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4366 -0.2912 0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5374 0.8190 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2711 1.5545 1.0602 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7039 1.2711 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0753 1.1057 -1.3648 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3060 -0.3426 -0.9088 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9876 -0.2216 -0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2237 -0.4589 -0.9865 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0657 -0.9416 1.1532 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0171 -2.2576 0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6690 -1.7404 -0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3414 -1.0296 0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5030 1.1562 1.1835 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4132 2.6515 1.1017 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1301 1.2651 2.0616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5808 1.9162 -0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0028 1.7130 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5688 1.1766 -2.2562 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3619 -1.0706 -1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0200 -0.2753 -2.0764 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6396 -1.4622 -0.7977 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9955 0.2726 -0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2099 -0.7598 1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1733 -2.0170 0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0324 -0.6197 1.6338 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