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

C23H29FO2Si — CID 11639588

IUPAC(Z,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-ZSYKKXJESA-N
MW384.57 g/mol
LogP4.64
Rot. Bonds7

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

(Z,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one (PubChem CID 11639588) has the molecular formula C23H29FO2Si and a molecular weight of 384.57 g/mol. Its IUPAC name is (Z,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one.

Molecular Properties

Compound Name(Z,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one
PubChem CID11639588
Molecular FormulaC23H29FO2Si
Molecular Weight384.57 g/mol
Exact Mass384.19
IUPAC Name(Z,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-ZSYKKXJESA-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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Frequently Asked Questions

What is the IUPAC name of (Z,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one?
The IUPAC name of (Z,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one (CID 11639588) is (Z,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one.
What is the SMILES notation for (Z,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one?
The canonical SMILES for (Z,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 (Z,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one?
The InChIKey is QXHXLCXYSNXQPB-ZSYKKXJESA-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 (Z,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one?
(Z,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 (Z,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3-fluoro-5-methylhex-3-en-2-one is sourced from PubChem (CID 11639588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).