N-OCTADECANE-D38

: Iupac Name：1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,
15,16,16,17,17,18,18,18-octatriacontadeuteriooctadecane; CAS No.: 16416-31-2; Molecular Weight：292.73; Modify Date.: 2023-02-11 07:03

1. Names and Identifiers

: 1.1 Name; N-OCTADECANE-D38; 1.2 Synonyms; (2H38)Octadecane (ìH??)OCTADECANE N-OCTADECANE-D38 Octadecane-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-d38 Octadecane-D38

1.6 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

1.8 Canonical 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]

1.9 Isomers 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]

2. Properties

3. Other Information

3.0 Uses: n-Octadecane-d38 (CAS# 16416-31-2) is a useful isotopically labeled research compound.

4. Computational chemical data

Molecular Weight: 292.73g/mol
Molecular Formula: C₁₈D₃₈
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 292.535867558
Monoisotopic Mass: 292.535867558
Complexity: 112
Rotatable Bond Count: 15
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Topological Polar Surface Area: 0
Heavy Atom Count: 18
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 38
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcfB4AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==