3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one

C16H28O5Si — CID 10592403

IUPAC3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one
SMILESCC1(C)OC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)C2=CC(=O)OC2)O1
InChIInChI=1S/C16H28O5Si/c1-15(2,3)22(6,7)21-14(11-8-13(17)18-9-11)12-10-19-16(4,5)20-12/h8,12,14H,9-10H2,1-7H3/t12-,14-/m1/s1
InChIKeyQGOCFEOKIUWENG-TZMCWYRMSA-N
MW328.48 g/mol
LogP3.01
Rot. Bonds4

About 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one

3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one (PubChem CID 10592403) has the molecular formula C16H28O5Si and a molecular weight of 328.48 g/mol. Its IUPAC name is 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one
PubChem CID10592403
Molecular FormulaC16H28O5Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Name3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one
SMILESCC1(C)OC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)C2=CC(=O)OC2)O1
InChIInChI=1S/C16H28O5Si/c1-15(2,3)22(6,7)21-14(11-8-13(17)18-9-11)12-10-19-16(4,5)20-12/h8,12,14H,9-10H2,1-7H3/t12-,14-/m1/s1
InChIKeyQGOCFEOKIUWENG-TZMCWYRMSA-N
XLogP3.01
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
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 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one?
The IUPAC name of 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one (CID 10592403) is 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one.
What is the SMILES notation for 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one?
The canonical SMILES for 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one is CC1(C)OC[C@H]([C@H](O[Si](C)(C)C(C)(C)C)C2=CC(=O)OC2)O1.
What is the InChIKey of 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one?
The InChIKey is QGOCFEOKIUWENG-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H28O5Si/c1-15(2,3)22(6,7)21-14(11-8-13(17)18-9-11)12-10-19-16(4,5)20-12/h8,12,14H,9-10H2,1-7H3/t12-,14-/m1/s1.
What are the key properties of 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one?
3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one has a molecular weight of 328.48 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2H-furan-5-one is sourced from PubChem (CID 10592403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).