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

C16H28O5Si — CID 10496540

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

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

3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-furan-5-one (PubChem CID 10496540) has the molecular formula C16H28O5Si and a molecular weight of 328.48 g/mol. Its IUPAC name is 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-furan-5-one
PubChem CID10496540
Molecular FormulaC16H28O5Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Name3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-furan-5-one
SMILESCC1(C)O[C@H](C2=CC(=O)OC2)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H28O5Si/c1-15(2,3)22(6,7)19-10-12-14(21-16(4,5)20-12)11-8-13(17)18-9-11/h8,12,14H,9-10H2,1-7H3/t12-,14-/m1/s1
InChIKeyLKVIPNJYILABRU-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-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-furan-5-one?
The IUPAC name of 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-furan-5-one (CID 10496540) is 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-furan-5-one.
What is the SMILES notation for 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-furan-5-one?
The canonical SMILES for 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-furan-5-one is CC1(C)O[C@H](C2=CC(=O)OC2)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-furan-5-one?
The InChIKey is LKVIPNJYILABRU-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H28O5Si/c1-15(2,3)22(6,7)19-10-12-14(21-16(4,5)20-12)11-8-13(17)18-9-11/h8,12,14H,9-10H2,1-7H3/t12-,14-/m1/s1.
What are the key properties of 3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-furan-5-one?
3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-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-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2H-furan-5-one is sourced from PubChem (CID 10496540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).