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
2.6150 0.9889 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4434 0.1221 0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3651 -1.0881 0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1139 -1.8855 0.4475 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8184 -1.1281 -0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0026 -0.5566 -1.6026 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3154 0.6094 -0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0246 0.3144 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1286 0.9736 -0.7767 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1137 0.5561 1.4562 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3965 2.0645 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4511 0.7573 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0206 0.8792 1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1392 -1.5502 1.3043 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4030 -2.8161 -0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3520 -2.1957 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7033 -1.6495 -0.7913 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8685 -1.1833 -1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6753 -0.2979 -2.4193 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4314 1.5769 -1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7492 1.9228 -1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9691 1.2856 -0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4799 0.3532 -1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4537 -0.0658 2.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1529 0.3578 1.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9451 1.6550 1.6190 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