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
-2.3151 -1.5559 0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3871 -0.4276 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6322 0.7602 0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5250 1.7593 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5476 1.3114 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0962 0.6649 -1.5698 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1699 -0.6022 -0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0691 -0.0718 -0.0193 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2980 -0.4225 -0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2234 -0.4131 1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3777 -1.1977 0.4871 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0434 -2.1977 1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3702 -2.2309 -0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5996 1.0155 1.1081 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9671 2.6921 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1636 1.9784 1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2886 2.0588 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0803 1.0619 -1.8267 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6097 0.5281 -2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0739 -1.5305 -1.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2066 -0.4956 -0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5059 0.2953 -1.6207 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1266 -1.4482 -1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3930 -1.5080 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3774 -0.0892 2.0567 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1553 0.0649 1.7869 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