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
2.4316 -1.1260 -0.9174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3869 -0.2264 -0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3433 1.0544 -0.7328 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2104 1.9260 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6052 1.1119 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2810 0.2931 1.6485 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3374 -0.7389 0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0354 -0.2272 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0974 -0.8695 0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3554 -0.2192 -1.3246 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1010 -1.7490 -1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3313 -0.5598 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8455 -1.7537 -0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0963 1.5240 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5976 2.7978 0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3272 2.2592 -1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3701 1.6293 1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2631 0.7132 1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2794 -0.1401 2.4949 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4089 -1.7731 0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0748 -0.8822 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2754 -0.2942 1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8368 -1.9083 1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2947 -1.2840 -1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6812 0.3624 -1.9561 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4011 0.0804 -1.4552 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