[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxooxan-4-yl] acetate

C14H26O5Si — CID 19389465

IUPAC[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxooxan-4-yl] acetate
SMILESCC(=O)OC1CC(=O)OC(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O5Si/c1-10(15)18-11-7-12(19-13(16)8-11)9-17-20(5,6)14(2,3)4/h11-12H,7-9H2,1-6H3
InChIKeyOOIJVAFGMSCKGI-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.65
Rot. Bonds4

About [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxooxan-4-yl] acetate

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxooxan-4-yl] acetate (PubChem CID 19389465) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxooxan-4-yl] acetate.

Molecular Properties

Compound Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxooxan-4-yl] acetate
PubChem CID19389465
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxooxan-4-yl] acetate
SMILESCC(=O)OC1CC(=O)OC(CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O5Si/c1-10(15)18-11-7-12(19-13(16)8-11)9-17-20(5,6)14(2,3)4/h11-12H,7-9H2,1-6H3
InChIKeyOOIJVAFGMSCKGI-UHFFFAOYSA-N
XLogP2.65
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.65
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 [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxooxan-4-yl] acetate?
The IUPAC name of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxooxan-4-yl] acetate (CID 19389465) is [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxooxan-4-yl] acetate.
What is the SMILES notation for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxooxan-4-yl] acetate?
The canonical SMILES for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxooxan-4-yl] acetate is CC(=O)OC1CC(=O)OC(CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxooxan-4-yl] acetate?
The InChIKey is OOIJVAFGMSCKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-10(15)18-11-7-12(19-13(16)8-11)9-17-20(5,6)14(2,3)4/h11-12H,7-9H2,1-6H3.
What are the key properties of [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxooxan-4-yl] acetate?
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxooxan-4-yl] acetate has a molecular weight of 302.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxooxan-4-yl] acetate is sourced from PubChem (CID 19389465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).