3-Hexadecanone - CAS 18787-64-9
Catalog: |
BB014460 |
Product Name: |
3-Hexadecanone |
CAS: |
18787-64-9 |
Synonyms: |
hexadecan-3-one |
IUPAC Name: | hexadecan-3-one |
Description: | 3-Hexadecanone (CAS# 18787-64-9) is a useful research chemical. |
Molecular Weight: | 240.42 |
Molecular Formula: | C16H32O |
Canonical SMILES: | CCCCCCCCCCCCCC(=O)CC |
InChI: | InChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h3-15H2,1-2H3 |
InChI Key: | LTMXHUUHBSCKEK-UHFFFAOYSA-N |
Boiling Point: | 140 °C / 2 mmHg |
Density: | 0.829 g/cm3 |
Appearance: | White crystalline solid |
MDL: | MFCD00048458 |
LogP: | 5.66660 |
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PMID | Publication Date | Title | Journal |
21533081 | 20110420 | TLR2-dependent induction of IL-10 and Foxp3+ CD25+ CD4+ regulatory T cells prevents effective anti-tumor immunity induced by Pam2 lipopeptides in vivo | PloS one |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.24531564 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.24531564 |
Rotatable Bond Count: | 13 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.7 |
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