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2-Hexyl-1-decanol-d3

CAT: 0572-TRC-H295712-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H295712-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246820-61-0
Synonyms
2-Hexyldecanol-d3; 2-Hexyldecyl Alcohol-d3; Exxal 16-d3; Guerbet C16-d3; Guerbet Hexadecanol-d3; Guerbitol 16-d3; Isofol 16-d3; Jarcol I 16-d3; NJCOL 160BR-d3; NJCOL 160BRA-d3; NSC 2399-d3; Rilanit G 16-d3;
Hazard Statement
No Data Available
Smiles
OCC(CCCCCCCC([2H])([2H])[2H])CCCCCC
Molecular Formula
C16H31D3O
Molecular Weight
245.47
InChI
InChI=1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3/i1D3
Additionnal Information
IUPAC name: 2-hexyldecan-10,10,10-d3-1-ol
Shipping Conditions
Room Temperature

Chemical Information

2-Hexyl-1-decanol-d3
CAS Number1246820-61-0
PubChem CID71317241
IUPAC Name10,10,10-trideuterio-2-hexyldecan-1-ol
Molecular FormulaC16H34O
Molecular Weight245.46
XLogP7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Heavy Atom Count17
Formal Charge0
Complexity133
SMILES
[2H]C([2H])([2H])CCCCCCCC(CCCCCC)CO
InChI
InChI=1S/C16H34O/c1-3-5-7-9-10-12-14-16(15-17)13-11-8-6-4-2/h16-17H,3-15H2,1-2H3/i1D3
InChIKey
XULHFMYCBKQGEE-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 2-Hexyl-1-decanol-d3
CAS: 1246820-61-0
CID: 71317241
Formula: C16H34O
MW: 245.46
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.46
XLogP37
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Exact Mass245.279795942
Monoisotopic Mass245.279795942
Topological Polar Surface Area20.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity133
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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