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
2.5825 0.8460 -0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4302 0.0925 -0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3128 -1.2098 -0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1119 -1.9425 0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7002 -0.9518 0.7813 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1756 -0.0580 1.6752 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3777 0.7911 0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0132 0.3163 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0564 1.1068 0.7391 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2733 0.1692 -1.4347 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4968 0.7313 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8732 0.4579 -1.8906 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3950 1.9298 -0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0178 -1.8280 -1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4645 -2.7124 0.7238 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5170 -2.3486 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5813 -1.3545 1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0743 -0.5658 2.0242 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4519 0.4396 2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4944 1.8567 0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5635 0.5060 1.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8734 1.4518 0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6165 1.9805 1.2834 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0682 -0.6236 -1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3915 -0.1838 -2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7002 1.1034 -1.8218 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