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

C13H24O2Si — CID 101096942

IUPAC(1R,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one
SMILESCC(C)(C)[Si](C)(C)OCC1[C@H]2CC(=O)C[C@@H]12
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-8-12-10-6-9(14)7-11(10)12/h10-12H,6-8H2,1-5H3/t10-,11+,12?
InChIKeyVCHYVEWGMDHMMO-FOSCPWQOSA-N
MW240.42 g/mol
LogP3.23
Rot. Bonds3

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

(1R,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one (PubChem CID 101096942) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (1R,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name(1R,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one
PubChem CID101096942
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(1R,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one
SMILESCC(C)(C)[Si](C)(C)OCC1[C@H]2CC(=O)C[C@@H]12
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-8-12-10-6-9(14)7-11(10)12/h10-12H,6-8H2,1-5H3/t10-,11+,12?
InChIKeyVCHYVEWGMDHMMO-FOSCPWQOSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.23
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(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one?
The IUPAC name of (1R,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one (CID 101096942) is (1R,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for (1R,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one?
The canonical SMILES for (1R,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one is CC(C)(C)[Si](C)(C)OCC1[C@H]2CC(=O)C[C@@H]12.
What is the InChIKey of (1R,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one?
The InChIKey is VCHYVEWGMDHMMO-FOSCPWQOSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-8-12-10-6-9(14)7-11(10)12/h10-12H,6-8H2,1-5H3/t10-,11+,12?.
What are the key properties of (1R,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one?
(1R,5S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one has a molecular weight of 240.42 g/mol, XLogP of 3.23, 3 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(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 101096942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).