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n-Octadecane-d38

CAT: 0572-TRC-O235106-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-O235106-50MGSize:50 mg
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CAS Number
16416-31-2
Hazard Statement
May be fatal if swallowed and enters airways
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
Molecular Formula
C18D38
Molecular Weight
292.73
InChI
InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2
Additionnal Information
IUPAC name: octadecane-d38
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Octadecane-d38
CAS Number16416-31-2
PubChem CID140070
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-octatriacontadeuteriooctadecane
Molecular FormulaC18H38
Molecular Weight292.7
XLogP9.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count15
Heavy Atom Count18
Formal Charge0
Complexity112
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
InChI
InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2
InChIKey
RZJRJXONCZWCBN-UCLFVKSLSA-N
Chemical Structure
2D Structure
2D structure of Octadecane-d38
CAS: 16416-31-2
CID: 140070
Formula: C18H38
MW: 292.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.7
XLogP39.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count15
Exact Mass292.535867558
Monoisotopic Mass292.535867558
Topological Polar Surface Area0 Ų
Heavy Atom Count18
Formal Charge0
Complexity112
Isotope Atom Count38
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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