(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octan-8-one

C14H26O2Si — CID 10610993

IUPAC(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octan-8-one
SMILESCC(C)(C)[Si](C)(C)OC1C[C@H]2CC[C@@H](C1)C2=O
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-12-8-10-6-7-11(9-12)13(10)15/h10-12H,6-9H2,1-5H3/t10-,11+,12?
InChIKeyKZIGAUIUXUMXNY-FOSCPWQOSA-N
MW254.45 g/mol
LogP3.77
Rot. Bonds2

About (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octan-8-one

(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octan-8-one (PubChem CID 10610993) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octan-8-one.

Molecular Properties

Compound Name(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octan-8-one
PubChem CID10610993
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octan-8-one
SMILESCC(C)(C)[Si](C)(C)OC1C[C@H]2CC[C@@H](C1)C2=O
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-12-8-10-6-7-11(9-12)13(10)15/h10-12H,6-9H2,1-5H3/t10-,11+,12?
InChIKeyKZIGAUIUXUMXNY-FOSCPWQOSA-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,5S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octan-8-one?
The IUPAC name of (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octan-8-one (CID 10610993) is (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octan-8-one.
What is the SMILES notation for (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octan-8-one?
The canonical SMILES for (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octan-8-one is CC(C)(C)[Si](C)(C)OC1C[C@H]2CC[C@@H](C1)C2=O.
What is the InChIKey of (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octan-8-one?
The InChIKey is KZIGAUIUXUMXNY-FOSCPWQOSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-12-8-10-6-7-11(9-12)13(10)15/h10-12H,6-9H2,1-5H3/t10-,11+,12?.
What are the key properties of (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octan-8-one?
(1R,5S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octan-8-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,5S)-3-[tert-butyl(dimethyl)silyl]oxybicyclo[3.2.1]octan-8-one is sourced from PubChem (CID 10610993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).