[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C13H28O4Si — CID 90111140

IUPAC[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO)O1
InChIInChI=1S/C13H28O4Si/c1-12(2,3)18(6,7)15-9-11-10(8-14)16-13(4,5)17-11/h10-11,14H,8-9H2,1-7H3/t10-,11+/m1/s1
InChIKeyAKGOASLTMRVWBH-MNOVXSKESA-N
MW276.45 g/mol
LogP2.52
Rot. Bonds4

About [(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 90111140) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is [(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID90111140
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO)O1
InChIInChI=1S/C13H28O4Si/c1-12(2,3)18(6,7)15-9-11-10(8-14)16-13(4,5)17-11/h10-11,14H,8-9H2,1-7H3/t10-,11+/m1/s1
InChIKeyAKGOASLTMRVWBH-MNOVXSKESA-N
XLogP2.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
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 [(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 90111140) is [(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO)O1.
What is the InChIKey of [(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is AKGOASLTMRVWBH-MNOVXSKESA-N. The full InChI is InChI=1S/C13H28O4Si/c1-12(2,3)18(6,7)15-9-11-10(8-14)16-13(4,5)17-11/h10-11,14H,8-9H2,1-7H3/t10-,11+/m1/s1.
What are the key properties of [(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 276.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 90111140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).