13-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one

C19H37F3O2Si — CID 25150084

IUPAC13-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCCCC(=O)C(F)(F)F
InChIInChI=1S/C19H37F3O2Si/c1-18(2,3)25(4,5)24-16-14-12-10-8-6-7-9-11-13-15-17(23)19(20,21)22/h6-16H2,1-5H3
InChIKeyGHAQIKTWWHGFHX-UHFFFAOYSA-N
MW382.58 g/mol
LogP7.04
Rot. Bonds13

About 13-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one

13-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one (PubChem CID 25150084) has the molecular formula C19H37F3O2Si and a molecular weight of 382.58 g/mol. Its IUPAC name is 13-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one.

Molecular Properties

Compound Name13-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one
PubChem CID25150084
Molecular FormulaC19H37F3O2Si
Molecular Weight382.58 g/mol
Exact Mass382.25
IUPAC Name13-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCCCC(=O)C(F)(F)F
InChIInChI=1S/C19H37F3O2Si/c1-18(2,3)25(4,5)24-16-14-12-10-8-6-7-9-11-13-15-17(23)19(20,21)22/h6-16H2,1-5H3
InChIKeyGHAQIKTWWHGFHX-UHFFFAOYSA-N
XLogP7.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.58
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Ethyl 8-[tert-butyl(dimethyl)silyl]oxy-2,2-difluorooctanoate
CID 140309028
14-{[tert-Butyl(dimethyl)silyl]oxy}tetradecan-2-one
CID 71426209
16-Triethylsilyloxyhexadecan-2-one
CID 86010278
(8R,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]decan-2-one
CID 134838241
15-Tributylstannyl-15-trimethylsilyloxypentadecan-4-one
CID 166443726
1,1,1-Trifluoro-7-trimethylsilyloxyheptan-2-one
CID 15084333
1,1,1-Trifluoro-2-trimethylsilyloxyundecan-3-one
CID 149739378
Octadecane-12-on-1-ol, TMS
CID 631035
6-[Tert-butyl(dimethyl)silyl]oxycyclodecan-1-one
CID 10379167
(4R)-4-[tert-butyl(dimethyl)silyl]oxypentadecan-2-one
CID 58160476
Cyclododecanone;cyclododecyloxy(trimethyl)silane
CID 140317947
1-[Tert-butyl(dimethyl)silyl]oxydodecane-4,7-dione
CID 141717899

Frequently Asked Questions

What is the IUPAC name of 13-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one?
The IUPAC name of 13-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one (CID 25150084) is 13-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one.
What is the SMILES notation for 13-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one?
The canonical SMILES for 13-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one is CC(C)(C)[Si](C)(C)OCCCCCCCCCCCC(=O)C(F)(F)F.
What is the InChIKey of 13-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one?
The InChIKey is GHAQIKTWWHGFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37F3O2Si/c1-18(2,3)25(4,5)24-16-14-12-10-8-6-7-9-11-13-15-17(23)19(20,21)22/h6-16H2,1-5H3.
What are the key properties of 13-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one?
13-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one has a molecular weight of 382.58 g/mol, XLogP of 7.04, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluorotridecan-2-one is sourced from PubChem (CID 25150084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).