3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol

C15H30O3Si — CID 171955847

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)[Si](C)(C)OCCC1(O)CC2CCC(C1)O2
InChIInChI=1S/C15H30O3Si/c1-14(2,3)19(4,5)17-9-8-15(16)10-12-6-7-13(11-15)18-12/h12-13,16H,6-11H2,1-5H3
InChIKeySHKPCKACIUAZIQ-UHFFFAOYSA-N
MW286.49 g/mol
LogP3.47
Rot. Bonds4

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171955847) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171955847
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)[Si](C)(C)OCCC1(O)CC2CCC(C1)O2
InChIInChI=1S/C15H30O3Si/c1-14(2,3)19(4,5)17-9-8-15(16)10-12-6-7-13(11-15)18-12/h12-13,16H,6-11H2,1-5H3
InChIKeySHKPCKACIUAZIQ-UHFFFAOYSA-N
XLogP3.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol
CID 171964257
[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol
CID 74036562
1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutan-1-ol
CID 70362766
[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]methanol
CID 11459641
[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methanol
CID 140982899
cis-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methylcyclohexan-1-ol
CID 11033471
(3aS,4R,6aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ol
CID 10710402
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
(4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxetan-2-one
CID 162507915
3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171951865

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol (CID 171955847) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol is CC(C)(C)[Si](C)(C)OCCC1(O)CC2CCC(C1)O2.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is SHKPCKACIUAZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-14(2,3)19(4,5)17-9-8-15(16)10-12-6-7-13(11-15)18-12/h12-13,16H,6-11H2,1-5H3.
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol?
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 286.49 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171955847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).