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
-2.4559 1.3294 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4001 0.3477 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5920 -0.9406 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4614 -1.8724 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7646 -1.1734 -0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3032 -0.4064 -1.6847 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1035 0.6972 -0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0055 0.1628 0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7965 0.2784 1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3339 0.7284 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3073 1.8444 1.2031 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5269 2.0557 -0.5855 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4421 0.8227 0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5533 -1.3033 0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7548 -2.6179 -0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2583 -2.4763 1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6238 -1.8202 -0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5442 -0.8857 -2.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1218 -0.0632 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0129 1.7127 -1.0633 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0390 1.3090 1.9672 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2075 0.0511 2.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4963 -0.4119 2.1667 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0046 0.9257 0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8829 0.0298 -0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2223 1.6764 -0.8245 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