(1R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one

C14H26O2Si — CID 10037970

IUPAC(1R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C[C@H]2CC(=O)[C@@H]1C2
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-9-11-6-10-7-12(11)13(15)8-10/h10-12H,6-9H2,1-5H3/t10-,11-,12-/m1/s1
InChIKeyLBMLRBHTYODPLW-IJLUTSLNSA-N
MW254.45 g/mol
LogP3.62
Rot. Bonds3

About (1R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one

(1R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one (PubChem CID 10037970) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (1R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(1R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one
PubChem CID10037970
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(1R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1C[C@H]2CC(=O)[C@@H]1C2
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-9-11-6-10-7-12(11)13(15)8-10/h10-12H,6-9H2,1-5H3/t10-,11-,12-/m1/s1
InChIKeyLBMLRBHTYODPLW-IJLUTSLNSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.62
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,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one?
The IUPAC name of (1R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one (CID 10037970) is (1R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (1R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (1R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one is CC(C)(C)[Si](C)(C)OC[C@H]1C[C@H]2CC(=O)[C@@H]1C2.
What is the InChIKey of (1R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one?
The InChIKey is LBMLRBHTYODPLW-IJLUTSLNSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-9-11-6-10-7-12(11)13(15)8-10/h10-12H,6-9H2,1-5H3/t10-,11-,12-/m1/s1.
What are the key properties of (1R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one?
(1R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one has a molecular weight of 254.45 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 10037970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).