(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]methyl]-3,4-dihydroxyoxolan-2-one

C11H22O4Si — CID 58521303

IUPAC(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]methyl]-3,4-dihydroxyoxolan-2-one
SMILESCC(C)(C)[Si](C)(C)C[C@@H]1OC(=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H22O4Si/c1-11(2,3)16(4,5)6-7-8(12)9(13)10(14)15-7/h7-9,12-13H,6H2,1-5H3/t7-,8-,9-/m0/s1
InChIKeyHTPNLRCERCIAHW-CIUDSAMLSA-N
MW246.38 g/mol
LogP1.14
Rot. Bonds2

About (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]methyl]-3,4-dihydroxyoxolan-2-one

(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]methyl]-3,4-dihydroxyoxolan-2-one (PubChem CID 58521303) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]methyl]-3,4-dihydroxyoxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]methyl]-3,4-dihydroxyoxolan-2-one
PubChem CID58521303
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]methyl]-3,4-dihydroxyoxolan-2-one
SMILESCC(C)(C)[Si](C)(C)C[C@@H]1OC(=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H22O4Si/c1-11(2,3)16(4,5)6-7-8(12)9(13)10(14)15-7/h7-9,12-13H,6H2,1-5H3/t7-,8-,9-/m0/s1
InChIKeyHTPNLRCERCIAHW-CIUDSAMLSA-N
XLogP1.14
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]methyl]-3,4-dihydroxyoxolan-2-one?
The IUPAC name of (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]methyl]-3,4-dihydroxyoxolan-2-one (CID 58521303) is (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]methyl]-3,4-dihydroxyoxolan-2-one.
What is the SMILES notation for (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]methyl]-3,4-dihydroxyoxolan-2-one?
The canonical SMILES for (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]methyl]-3,4-dihydroxyoxolan-2-one is CC(C)(C)[Si](C)(C)C[C@@H]1OC(=O)[C@@H](O)[C@H]1O.
What is the InChIKey of (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]methyl]-3,4-dihydroxyoxolan-2-one?
The InChIKey is HTPNLRCERCIAHW-CIUDSAMLSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-11(2,3)16(4,5)6-7-8(12)9(13)10(14)15-7/h7-9,12-13H,6H2,1-5H3/t7-,8-,9-/m0/s1.
What are the key properties of (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]methyl]-3,4-dihydroxyoxolan-2-one?
(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]methyl]-3,4-dihydroxyoxolan-2-one has a molecular weight of 246.38 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]methyl]-3,4-dihydroxyoxolan-2-one is sourced from PubChem (CID 58521303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).