(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one

C12H24O2Si — CID 70365573

IUPAC(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCCC1=O
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-9-10-7-6-8-11(10)13/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyLCCGQZBTWLMMDX-JTQLQIEISA-N
MW228.41 g/mol
LogP3.38
Rot. Bonds3

About (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one (PubChem CID 70365573) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
PubChem CID70365573
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CCCC1=O
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-9-10-7-6-8-11(10)13/h10H,6-9H2,1-5H3/t10-/m0/s1
InChIKeyLCCGQZBTWLMMDX-JTQLQIEISA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.38
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 (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one?
The IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one (CID 70365573) is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one.
What is the SMILES notation for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one?
The canonical SMILES for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one is CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC1=O.
What is the InChIKey of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one?
The InChIKey is LCCGQZBTWLMMDX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-9-10-7-6-8-11(10)13/h10H,6-9H2,1-5H3/t10-/m0/s1.
What are the key properties of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one?
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one has a molecular weight of 228.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-one is sourced from PubChem (CID 70365573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).