(4S)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-one

C21H24O2Si — CID 11067686

IUPAC(4S)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](O[C@@H]1C=CC(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O2Si/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-18-15-14-17(22)16-18/h4-15,18H,16H2,1-3H3/t18-/m1/s1
InChIKeyRJHMGWVBFDJTCF-GOSISDBHSA-N
MW336.51 g/mol
LogP3.46
Rot. Bonds4

About (4S)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-one

(4S)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-one (PubChem CID 11067686) has the molecular formula C21H24O2Si and a molecular weight of 336.51 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-one
PubChem CID11067686
Molecular FormulaC21H24O2Si
Molecular Weight336.51 g/mol
Exact Mass336.15
IUPAC Name(4S)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-one
SMILESCC(C)(C)[Si](O[C@@H]1C=CC(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O2Si/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-18-15-14-17(22)16-18/h4-15,18H,16H2,1-3H3/t18-/m1/s1
InChIKeyRJHMGWVBFDJTCF-GOSISDBHSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-one?
The IUPAC name of (4S)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-one (CID 11067686) is (4S)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-one is CC(C)(C)[Si](O[C@@H]1C=CC(=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-one?
The InChIKey is RJHMGWVBFDJTCF-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24O2Si/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-18-15-14-17(22)16-18/h4-15,18H,16H2,1-3H3/t18-/m1/s1.
What are the key properties of (4S)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-one?
(4S)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-one has a molecular weight of 336.51 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(diphenyl)silyl]oxycyclopent-2-en-1-one is sourced from PubChem (CID 11067686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).