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
2.5276 0.8267 1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4307 0.1248 0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4070 -1.1867 0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2497 -1.8384 -0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7102 -0.7641 -1.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0794 0.3932 -1.6555 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2660 0.8887 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0414 0.1979 0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1802 -0.3912 1.4539 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1980 1.0805 -0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9164 0.2365 1.8854 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2220 1.8266 1.3201 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4330 0.9597 0.3494 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2295 -1.7895 0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2305 -2.6103 -0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6215 -2.3267 -1.5367 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5427 -1.0859 -1.6447 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5202 1.0850 -2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0010 0.1002 -2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2932 1.9678 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4999 0.0405 2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2193 -0.2311 1.8655 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0261 -1.4909 1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9507 0.5172 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8851 1.9442 -0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6727 1.5251 0.6312 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