(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-one

C12H24O5Si — CID 167358430

IUPAC(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1O
InChIInChI=1S/C12H24O5Si/c1-11(2,3)18(5,6)16-7-8-9(13)12(4,15)10(14)17-8/h8-9,13,15H,7H2,1-6H3/t8-,9-,12+/m1/s1
InChIKeyWDPKGBQELQXXPC-LNLATYFQSA-N
MW276.40 g/mol
LogP1.05
Rot. Bonds3

About (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-one

(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-one (PubChem CID 167358430) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-one
PubChem CID167358430
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1O
InChIInChI=1S/C12H24O5Si/c1-11(2,3)18(5,6)16-7-8-9(13)12(4,15)10(14)17-8/h8-9,13,15H,7H2,1-6H3/t8-,9-,12+/m1/s1
InChIKeyWDPKGBQELQXXPC-LNLATYFQSA-N
XLogP1.05
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-one?
The IUPAC name of (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-one (CID 167358430) is (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-one.
What is the SMILES notation for (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-one?
The canonical SMILES for (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-one is CC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1O.
What is the InChIKey of (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-one?
The InChIKey is WDPKGBQELQXXPC-LNLATYFQSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-11(2,3)18(5,6)16-7-8-9(13)12(4,15)10(14)17-8/h8-9,13,15H,7H2,1-6H3/t8-,9-,12+/m1/s1.
What are the key properties of (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-one?
(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-one has a molecular weight of 276.40 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxy-3-methyloxolan-2-one is sourced from PubChem (CID 167358430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).