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
2.6092 -0.9165 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4284 -0.0867 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2921 1.1532 -0.7339 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0574 1.9288 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8326 1.0524 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0317 0.4516 1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3714 -0.6436 0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9969 -0.3435 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1281 -1.0446 0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0902 -0.5222 -1.5216 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1205 -1.1546 0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3737 -0.3540 -1.2042 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3420 -1.8608 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0047 1.6544 -1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4395 2.7375 0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4165 2.4125 -1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7119 1.5371 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5287 0.0871 2.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8661 1.1033 1.8512 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5006 -1.6380 0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9749 -2.1385 0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0553 -0.8135 0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2509 -0.7363 1.7065 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1463 -0.3700 -2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3818 -1.5859 -1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9233 0.0907 -1.9163 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