| CAS Number | 16825-16-4 |
| Catalog Number | AG01E2O8(AGN-PC-0O4RQX) |
| Chemical Name | (+)-Phytone |
| IUPAC Name | (6R,10R)-6,10,14-trimethylpentadecan-2-one |
| InChI | InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3/t16-,17-/m1/s1 |
| InChI Key | WHWDWIHXSPCOKZ-IAGOWNOFSA-N |
| Molecular Formula | C18H36O |
| Molecular Weight | 268.4778 |
| SMILES | [C@H](CCC[C@H](CCCC(C)=O)C)(CCCC(C)C)C |
| Synonyms | (6R,10R)-6,10,14-trimethylpentadecan-2-one,
16825-16-4,
AC1LXZ47,
SCHEMBL8908184,
WHWDWIHXSPCOKZ-IAGOWNOFSA-N,
ZINC2169903,
PHYTONE,
Phytol ketone,
(R,R)-Phytone,
CID1810793,
502-69-2,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.277g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.485g/mol |
| Monoisotopic Mass | 268.277g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number