(1R,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one

C14H26O2Si — CID 10562927

IUPAC(1R,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2CC[C@H]1C(=O)C2
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-13-9-10-6-7-11(13)12(15)8-10/h10-11,13H,6-9H2,1-5H3/t10-,11+,13+/m1/s1
InChIKeyJWTPIPVXHYXIIE-MDZLAQPJSA-N
MW254.45 g/mol
LogP3.77
Rot. Bonds2

About (1R,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one

(1R,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one (PubChem CID 10562927) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (1R,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name(1R,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one
PubChem CID10562927
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(1R,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2CC[C@H]1C(=O)C2
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-13-9-10-6-7-11(13)12(15)8-10/h10-11,13H,6-9H2,1-5H3/t10-,11+,13+/m1/s1
InChIKeyJWTPIPVXHYXIIE-MDZLAQPJSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.77
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,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one?
The IUPAC name of (1R,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one (CID 10562927) is (1R,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one.
What is the SMILES notation for (1R,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one?
The canonical SMILES for (1R,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one is CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H]2CC[C@H]1C(=O)C2.
What is the InChIKey of (1R,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one?
The InChIKey is JWTPIPVXHYXIIE-MDZLAQPJSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-13-9-10-6-7-11(13)12(15)8-10/h10-11,13H,6-9H2,1-5H3/t10-,11+,13+/m1/s1.
What are the key properties of (1R,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one?
(1R,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one has a molecular weight of 254.45 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxybicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 10562927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).