(1R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one

C23H28O2Si — CID 11152743

IUPAC(1R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one
SMILESCC(C)(C)[Si](OCC1[C@H]2CC(=O)C[C@@H]12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O2Si/c1-23(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-22-20-14-17(24)15-21(20)22/h4-13,20-22H,14-16H2,1-3H3/t20-,21+,22?
InChIKeyFJHHHEIKEUNJDP-CBQGHPETSA-N
MW364.56 g/mol
LogP3.79
Rot. Bonds5

About (1R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one

(1R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one (PubChem CID 11152743) has the molecular formula C23H28O2Si and a molecular weight of 364.56 g/mol. Its IUPAC name is (1R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name(1R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one
PubChem CID11152743
Molecular FormulaC23H28O2Si
Molecular Weight364.56 g/mol
Exact Mass364.19
IUPAC Name(1R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one
SMILESCC(C)(C)[Si](OCC1[C@H]2CC(=O)C[C@@H]12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H28O2Si/c1-23(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-22-20-14-17(24)15-21(20)22/h4-13,20-22H,14-16H2,1-3H3/t20-,21+,22?
InChIKeyFJHHHEIKEUNJDP-CBQGHPETSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.79
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 (1R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one?
The IUPAC name of (1R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one (CID 11152743) is (1R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for (1R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one?
The canonical SMILES for (1R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one is CC(C)(C)[Si](OCC1[C@H]2CC(=O)C[C@@H]12)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one?
The InChIKey is FJHHHEIKEUNJDP-CBQGHPETSA-N. The full InChI is InChI=1S/C23H28O2Si/c1-23(2,3)26(18-10-6-4-7-11-18,19-12-8-5-9-13-19)25-16-22-20-14-17(24)15-21(20)22/h4-13,20-22H,14-16H2,1-3H3/t20-,21+,22?.
What are the key properties of (1R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one?
(1R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one has a molecular weight of 364.56 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 11152743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).