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(1S)-(-)-Alpha-Pinene-D3

CAT: 0572-TRC-P466612-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P466612-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1903007-82-8
Synonyms
(-)-a-Pinene-10,10,10-d3; (1S)-(-)-α-Pinene-D3; (1S,5S)-6,6-Dimethyl-2-(methyl-d3)bicyclo[3.1.1]hept-2-ene; (-)-α-Pinene-10,10,10-D3
Hazard Statement
Flammable liquid and vapour; UN number: UN2368; Packing Group: III
Smiles
[2H]C([2H])([2H])C1=CC[C@H]2C[C@@H]1C2(C)C
Molecular Formula
C10 D3 H13
Molecular Weight
139.252
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1/i1D3
Additionnal Information
IUPAC name: (1S,5S)-6,6-dimethyl-2-(trideuteriomethyl)bicyclo[3.1.1]hept-2-ene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(1S,5S)-6,6-dimethyl-2-(trideuteriomethyl)bicyclo[3.1.1]hept-2-ene
CAS Number1903007-82-8
PubChem CID169445691
IUPAC Name(1S,5S)-6,6-dimethyl-2-(trideuteriomethyl)bicyclo[3.1.1]hept-2-ene
Molecular FormulaC10H16
Molecular Weight139.25
XLogP2.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity186
SMILES
[2H]C([2H])([2H])C1=CC[C@H]2C[C@@H]1C2(C)C
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m0/s1/i1D3
InChIKey
GRWFGVWFFZKLTI-UTFMOTILSA-N
Chemical Structure
2D Structure
2D structure of (1S,5S)-6,6-dimethyl-2-(trideuteriomethyl)bicyclo[3.1.1]hept-2-ene
CAS: 1903007-82-8
CID: 169445691
Formula: C10H16
MW: 139.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.25
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass139.144030748
Monoisotopic Mass139.144030748
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity186
Isotope Atom Count3
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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