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
-2.4257 1.3354 -0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3958 0.3039 -0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3752 -0.7954 -1.0495 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1767 -1.6676 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6415 -1.2501 0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2762 -0.8432 1.4358 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3698 0.5187 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0269 0.2350 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0323 0.5407 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3485 0.7153 -1.1532 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1354 1.2925 0.3383 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0141 2.3584 -0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0168 1.1247 -1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1751 -1.0925 -1.7362 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3820 -1.6175 -1.8583 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4601 -2.7179 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4625 -1.9092 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2621 -0.7927 2.4024 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2141 -1.4024 1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4991 1.3715 1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5433 0.8626 2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7140 1.3736 1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6281 -0.3685 1.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1737 1.4841 -1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8235 -0.1475 -1.7041 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4955 1.0880 -1.7317 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