(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one

C14H28O4Si — CID 58361810

IUPAC(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one
SMILESCOC(C)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C14H28O4Si/c1-10(16-5)12-8-11(9-13(15)17-12)18-19(6,7)14(2,3)4/h10-12H,8-9H2,1-7H3/t10?,11-,12+/m1/s1
InChIKeyLXUOWRBKMNUROR-SAIIYOCFSA-N
MW288.46 g/mol
LogP3.12
Rot. Bonds4

About (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one

(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one (PubChem CID 58361810) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one.

Molecular Properties

Compound Name(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one
PubChem CID58361810
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one
SMILESCOC(C)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1
InChIInChI=1S/C14H28O4Si/c1-10(16-5)12-8-11(9-13(15)17-12)18-19(6,7)14(2,3)4/h10-12H,8-9H2,1-7H3/t10?,11-,12+/m1/s1
InChIKeyLXUOWRBKMNUROR-SAIIYOCFSA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one?
The IUPAC name of (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one (CID 58361810) is (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one.
What is the SMILES notation for (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one?
The canonical SMILES for (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one is COC(C)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O1.
What is the InChIKey of (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one?
The InChIKey is LXUOWRBKMNUROR-SAIIYOCFSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-10(16-5)12-8-11(9-13(15)17-12)18-19(6,7)14(2,3)4/h10-12H,8-9H2,1-7H3/t10?,11-,12+/m1/s1.
What are the key properties of (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one?
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one has a molecular weight of 288.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one is sourced from PubChem (CID 58361810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).