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Geraniol-D6 (Major)

CAT: 0572-TRC-G367004-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G367004-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1660976-93-1
Synonyms
(2E)-7-methyl-3-(methyl-d3)-2,6-Octadien-2,4,4-d3-1-ol
Hazard Statement
Causes skin irritation
Smiles
OC/C([2H])=C(C([2H])([2H])[2H])/C([2H])([2H])C/C=C(C)/C
Molecular Formula
C10H12D6O
Molecular Weight
160.29
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Geraniol-D6 (Major)
CAS Number1660976-93-1
PubChem CID139026059
IUPAC Name(2E)-2,4,4-trideuterio-7-methyl-3-(trideuteriomethyl)octa-2,6-dien-1-ol
Molecular FormulaC10H18O
Molecular Weight160.29
XLogP2.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity150
SMILES
[2H]/C(=C(/C([2H])([2H])[2H])\C([2H])([2H])CC=C(C)C)/CO
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+/i3D3,6D2,7D
InChIKey
GLZPCOQZEFWAFX-ATDUBDHSSA-N
Chemical Structure
2D Structure
2D structure of Geraniol-D6 (Major)
CAS: 1660976-93-1
CID: 139026059
Formula: C10H18O
MW: 160.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.29
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass160.173425669
Monoisotopic Mass160.173425669
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity150
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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