6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one

C18H26O5Si — CID 76787690

IUPAC6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SMILESCC(C)(C)[Si](C)(C)OCC1OC(=O)C2OC(c3ccccc3)OC12
InChIInChI=1S/C18H26O5Si/c1-18(2,3)24(4,5)20-11-13-14-15(16(19)21-13)23-17(22-14)12-9-7-6-8-10-12/h6-10,13-15,17H,11H2,1-5H3
InChIKeyRAYDPRYAQGLTBX-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.42
Rot. Bonds4

About 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one

6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one (PubChem CID 76787690) has the molecular formula C18H26O5Si and a molecular weight of 350.49 g/mol. Its IUPAC name is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one.

Molecular Properties

Compound Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
PubChem CID76787690
Molecular FormulaC18H26O5Si
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SMILESCC(C)(C)[Si](C)(C)OCC1OC(=O)C2OC(c3ccccc3)OC12
InChIInChI=1S/C18H26O5Si/c1-18(2,3)24(4,5)20-11-13-14-15(16(19)21-13)23-17(22-14)12-9-7-6-8-10-12/h6-10,13-15,17H,11H2,1-5H3
InChIKeyRAYDPRYAQGLTBX-UHFFFAOYSA-N
XLogP3.42
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.42
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 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The IUPAC name of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one (CID 76787690) is 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one.
What is the SMILES notation for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The canonical SMILES for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one is CC(C)(C)[Si](C)(C)OCC1OC(=O)C2OC(c3ccccc3)OC12.
What is the InChIKey of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The InChIKey is RAYDPRYAQGLTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5Si/c1-18(2,3)24(4,5)20-11-13-14-15(16(19)21-13)23-17(22-14)12-9-7-6-8-10-12/h6-10,13-15,17H,11H2,1-5H3.
What are the key properties of 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one has a molecular weight of 350.49 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one is sourced from PubChem (CID 76787690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).