7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one

C14H26O5Si — CID 618592

IUPAC7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
SMILESCC1(C)OCC2OC(=O)C(O[Si](C)(C)C(C)(C)C)C2O1
InChIInChI=1S/C14H26O5Si/c1-13(2,3)20(6,7)19-11-10-9(17-12(11)15)8-16-14(4,5)18-10/h9-11H,8H2,1-7H3
InChIKeyIUYYDFHMNOUFDV-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.45
Rot. Bonds2

About 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one

7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (PubChem CID 618592) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one.

Molecular Properties

Compound Name7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
PubChem CID618592
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
SMILESCC1(C)OCC2OC(=O)C(O[Si](C)(C)C(C)(C)C)C2O1
InChIInChI=1S/C14H26O5Si/c1-13(2,3)20(6,7)19-11-10-9(17-12(11)15)8-16-14(4,5)18-10/h9-11H,8H2,1-7H3
InChIKeyIUYYDFHMNOUFDV-UHFFFAOYSA-N
XLogP2.45
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.45
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 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The IUPAC name of 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (CID 618592) is 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one.
What is the SMILES notation for 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The canonical SMILES for 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one is CC1(C)OCC2OC(=O)C(O[Si](C)(C)C(C)(C)C)C2O1.
What is the InChIKey of 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The InChIKey is IUYYDFHMNOUFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-13(2,3)20(6,7)19-11-10-9(17-12(11)15)8-16-14(4,5)18-10/h9-11H,8H2,1-7H3.
What are the key properties of 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one has a molecular weight of 302.44 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one is sourced from PubChem (CID 618592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).