6-[1-[tert-butyl(dimethyl)silyl]oxypropyl]oxan-3-one

C14H28O3Si — CID 58063709

IUPAC6-[1-[tert-butyl(dimethyl)silyl]oxypropyl]oxan-3-one
SMILESCCC(O[Si](C)(C)C(C)(C)C)C1CCC(=O)CO1
InChIInChI=1S/C14H28O3Si/c1-7-12(13-9-8-11(15)10-16-13)17-18(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3
InChIKeyRRTFSEPXFZQMHL-UHFFFAOYSA-N
MW272.46 g/mol
LogP3.53
Rot. Bonds4

About 6-[1-[tert-butyl(dimethyl)silyl]oxypropyl]oxan-3-one

6-[1-[tert-butyl(dimethyl)silyl]oxypropyl]oxan-3-one (PubChem CID 58063709) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 6-[1-[tert-butyl(dimethyl)silyl]oxypropyl]oxan-3-one.

Molecular Properties

Compound Name6-[1-[tert-butyl(dimethyl)silyl]oxypropyl]oxan-3-one
PubChem CID58063709
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name6-[1-[tert-butyl(dimethyl)silyl]oxypropyl]oxan-3-one
SMILESCCC(O[Si](C)(C)C(C)(C)C)C1CCC(=O)CO1
InChIInChI=1S/C14H28O3Si/c1-7-12(13-9-8-11(15)10-16-13)17-18(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3
InChIKeyRRTFSEPXFZQMHL-UHFFFAOYSA-N
XLogP3.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[1-[tert-butyl(dimethyl)silyl]oxypropyl]oxan-3-one?
The IUPAC name of 6-[1-[tert-butyl(dimethyl)silyl]oxypropyl]oxan-3-one (CID 58063709) is 6-[1-[tert-butyl(dimethyl)silyl]oxypropyl]oxan-3-one.
What is the SMILES notation for 6-[1-[tert-butyl(dimethyl)silyl]oxypropyl]oxan-3-one?
The canonical SMILES for 6-[1-[tert-butyl(dimethyl)silyl]oxypropyl]oxan-3-one is CCC(O[Si](C)(C)C(C)(C)C)C1CCC(=O)CO1.
What is the InChIKey of 6-[1-[tert-butyl(dimethyl)silyl]oxypropyl]oxan-3-one?
The InChIKey is RRTFSEPXFZQMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-12(13-9-8-11(15)10-16-13)17-18(5,6)14(2,3)4/h12-13H,7-10H2,1-6H3.
What are the key properties of 6-[1-[tert-butyl(dimethyl)silyl]oxypropyl]oxan-3-one?
6-[1-[tert-butyl(dimethyl)silyl]oxypropyl]oxan-3-one has a molecular weight of 272.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[tert-butyl(dimethyl)silyl]oxypropyl]oxan-3-one is sourced from PubChem (CID 58063709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).