[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol

C12H26O3Si — CID 157382576

IUPAC[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol
SMILESCC1[C@@H](CO)OC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-9-10(7-13)14-8-11(9)15-16(5,6)12(2,3)4/h9-11,13H,7-8H2,1-6H3/t9?,10-,11-/m1/s1
InChIKeyGSPDIOMMMFSHEH-FHZGLPGMSA-N
MW246.42 g/mol
LogP2.40
Rot. Bonds3

About [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol

[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol (PubChem CID 157382576) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol
PubChem CID157382576
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol
SMILESCC1[C@@H](CO)OC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-9-10(7-13)14-8-11(9)15-16(5,6)12(2,3)4/h9-11,13H,7-8H2,1-6H3/t9?,10-,11-/m1/s1
InChIKeyGSPDIOMMMFSHEH-FHZGLPGMSA-N
XLogP2.40
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 ≤ 52.40
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

[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tritiooxolan-2-yl]methanol
CID 138965172
[(2R,3R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]methanol
CID 44518856
[(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyloxolan-2-yl]methanol
CID 45277017
[5-(hydroxymethyl)-4-methyloxolan-3-yl] acetate
CID 23562379
2-[(3aR,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]ethanol
CID 90042024
CID 66680973
CID 66680973
[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904845
[(1R,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclopentyl]methanol
CID 170904797
(2R,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-prop-2-enyloxan-4-ol
CID 101232089
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 91867100
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 69230457
CID 88871664
CID 88871664

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol (CID 157382576) is [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol is CC1[C@@H](CO)OC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol?
The InChIKey is GSPDIOMMMFSHEH-FHZGLPGMSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-9-10(7-13)14-8-11(9)15-16(5,6)12(2,3)4/h9-11,13H,7-8H2,1-6H3/t9?,10-,11-/m1/s1.
What are the key properties of [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol?
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol has a molecular weight of 246.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyloxolan-2-yl]methanol is sourced from PubChem (CID 157382576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).