[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol

C12H26O3Si — CID 67078431

IUPAC[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1COC[C@H](CO)C1
InChIInChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)15-11-6-10(7-13)8-14-9-11/h10-11,13H,6-9H2,1-5H3/t10-,11-/m0/s1
InChIKeyIEVNFPDSAIQMPS-QWRGUYRKSA-N
MW246.42 g/mol
LogP2.41
Rot. Bonds3

About [(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol

[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol (PubChem CID 67078431) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is [(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol.

Molecular Properties

Compound Name[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol
PubChem CID67078431
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1COC[C@H](CO)C1
InChIInChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)15-11-6-10(7-13)8-14-9-11/h10-11,13H,6-9H2,1-5H3/t10-,11-/m0/s1
InChIKeyIEVNFPDSAIQMPS-QWRGUYRKSA-N
XLogP2.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.41
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-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol
CID 171781505
[4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol
CID 19990882
(2S,4R,6R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-(hydroxymethyl)cyclohexan-1-one
CID 11047381
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-yl]methanol
CID 145222779
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
cis-(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexan-1-one
CID 11096852
4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
tert-butyl-dimethyl-[[(5R)-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
CID 89397580
[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol
CID 11164051
[(6S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5,6,7,8-tetrahydroquinolin-6-yl]methanol
CID 141254217
[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tritiooxolan-2-yl]methanol
CID 138965172

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol?
The IUPAC name of [(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol (CID 67078431) is [(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol.
What is the SMILES notation for [(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol?
The canonical SMILES for [(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol is CC(C)(C)[Si](C)(C)O[C@@H]1COC[C@H](CO)C1.
What is the InChIKey of [(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol?
The InChIKey is IEVNFPDSAIQMPS-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-12(2,3)16(4,5)15-11-6-10(7-13)8-14-9-11/h10-11,13H,6-9H2,1-5H3/t10-,11-/m0/s1.
What are the key properties of [(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol?
[(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol has a molecular weight of 246.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxyoxan-3-yl]methanol is sourced from PubChem (CID 67078431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).