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
2.5909 -1.2189 0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4228 -0.3112 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4000 0.8495 0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4313 1.8729 0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7184 1.1848 -0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1213 0.4554 -1.6424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1844 -0.6748 -0.6489 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0153 -0.1781 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3112 -0.7047 -0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0082 -0.3676 1.5843 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7443 -1.5253 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3703 -2.0757 0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4799 -0.6625 0.4585 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0084 1.0910 1.5934 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9927 2.4207 -0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1501 2.6089 1.0007 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5612 1.8285 -0.6716 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8045 0.8924 -2.0146 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9019 0.2013 -2.3622 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1324 -1.6778 -1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0653 0.1026 -0.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1513 -1.1485 -1.4745 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7187 -1.5150 0.1693 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5205 -1.3629 1.8047 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0600 -0.5012 1.9743 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5588 0.4160 2.1869 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