(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one

C23H29FO2Si — CID 11531103

IUPAC(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one
SMILESCC(=O)/C(F)=C\[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H29FO2Si/c1-18(16-22(24)19(2)25)17-26-27(23(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,18H,17H2,1-5H3/b22-16+/t18-/m1/s1
InChIKeyQXHXLCXYSNXQPB-IPEVAPCJSA-N
MW384.57 g/mol
LogP4.64
Rot. Bonds7

About (E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one

(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one (PubChem CID 11531103) has the molecular formula C23H29FO2Si and a molecular weight of 384.57 g/mol. Its IUPAC name is (E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one.

Molecular Properties

Compound Name(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one
PubChem CID11531103
Molecular FormulaC23H29FO2Si
Molecular Weight384.57 g/mol
Exact Mass384.19
IUPAC Name(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one
SMILESCC(=O)/C(F)=C\[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H29FO2Si/c1-18(16-22(24)19(2)25)17-26-27(23(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,18H,17H2,1-5H3/b22-16+/t18-/m1/s1
InChIKeyQXHXLCXYSNXQPB-IPEVAPCJSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[Tert-butyl(diphenyl)silyl]oxybutan-2-one
CID 11099461
5-[Tert-butyl(diphenyl)silyl]oxypent-1-en-3-one
CID 11724726
Silane, diphenylbutoxy(2-fluoroethoxy)-
CID 91717515
Silane, diphenylisobutoxy(2,2,3,3-tetrafluoropropoxy)-
CID 91733111
Silane, diphenylisobutoxy(2,2,3,3,3-pentafluoropropoxy)-
CID 91733114
(R,Z)-6-((tert-Butyldiphenylsilyl)oxy)-3-fluoro-5-methylhex-3-en-2-one
CID 11639588
ethyl (Z)-5-[tert-butyl(diphenyl)silyl]oxy-2-fluoropent-2-enoate
CID 44134231
tert-butyl-[(2R)-2-fluorobut-3-enoxy]-diphenylsilane
CID 134953666
tert-butyl-[(3S)-3-fluoropent-4-enoxy]-diphenylsilane
CID 166439015
(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpent-2-enal
CID 11132305
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbut-2-enal
CID 11782738
(E)-7-[tert-butyl(diphenyl)silyl]oxyhept-2-enal
CID 24873775

Frequently Asked Questions

What is the IUPAC name of (E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one?
The IUPAC name of (E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one (CID 11531103) is (E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one.
What is the SMILES notation for (E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one?
The canonical SMILES for (E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one is CC(=O)/C(F)=C\[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one?
The InChIKey is QXHXLCXYSNXQPB-IPEVAPCJSA-N. The full InChI is InChI=1S/C23H29FO2Si/c1-18(16-22(24)19(2)25)17-26-27(23(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,18H,17H2,1-5H3/b22-16+/t18-/m1/s1.
What are the key properties of (E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one?
(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one has a molecular weight of 384.57 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one is sourced from PubChem (CID 11531103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).