(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-one

C22H28O2Si — CID 25138466

IUPAC(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-one
SMILESCC(C)(C)[Si](OC[C@@H]1CCC(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O2Si/c1-22(2,3)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24-17-18-14-15-19(23)16-18/h4-13,18H,14-17H2,1-3H3/t18-/m1/s1
InChIKeyIRKVABDEAAMLLF-GOSISDBHSA-N
MW352.55 g/mol
LogP3.93
Rot. Bonds5

About (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-one

(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-one (PubChem CID 25138466) has the molecular formula C22H28O2Si and a molecular weight of 352.55 g/mol. Its IUPAC name is (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-one
PubChem CID25138466
Molecular FormulaC22H28O2Si
Molecular Weight352.55 g/mol
Exact Mass352.19
IUPAC Name(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-one
SMILESCC(C)(C)[Si](OC[C@@H]1CCC(=O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28O2Si/c1-22(2,3)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24-17-18-14-15-19(23)16-18/h4-13,18H,14-17H2,1-3H3/t18-/m1/s1
InChIKeyIRKVABDEAAMLLF-GOSISDBHSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 53.93
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 (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-one?
The IUPAC name of (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-one (CID 25138466) is (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-one.
What is the SMILES notation for (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-one?
The canonical SMILES for (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-one is CC(C)(C)[Si](OC[C@@H]1CCC(=O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-one?
The InChIKey is IRKVABDEAAMLLF-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28O2Si/c1-22(2,3)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)24-17-18-14-15-19(23)16-18/h4-13,18H,14-17H2,1-3H3/t18-/m1/s1.
What are the key properties of (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-one?
(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-one has a molecular weight of 352.55 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-one is sourced from PubChem (CID 25138466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).