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
2.7213 -0.8205 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4550 -0.0703 -0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2610 0.6324 -1.2212 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0752 1.1844 -1.4783 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9300 1.0610 -0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0926 1.3983 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3750 -0.0648 0.9039 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9744 -0.3616 0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9984 -1.4266 -0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0334 -0.4969 1.3227 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6794 -1.5430 0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0646 -1.2766 -0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5024 -0.0591 0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0567 0.8219 -1.9547 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5486 0.6449 -2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0626 2.2561 -1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8850 1.5921 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6977 2.1278 0.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7252 1.5387 1.8821 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5945 -0.5292 1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1241 -2.3998 -0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1003 -1.4611 -1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8661 -1.2359 -1.4244 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7938 0.3092 1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5796 -1.4534 1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6182 -0.3680 2.3458 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