(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one

C14H28O3Si — CID 59682256

IUPAC(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one
SMILESC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@@H]1C
InChIInChI=1S/C14H28O3Si/c1-9-11(3)16-13(15)10(2)12(9)17-18(7,8)14(4,5)6/h9-12H,1-8H3/t9-,10+,11+,12-/m0/s1
InChIKeyPHJFENWROYUOCN-QCNOEVLYSA-N
MW272.46 g/mol
LogP3.59
Rot. Bonds2

About (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one

(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one (PubChem CID 59682256) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one.

Molecular Properties

Compound Name(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one
PubChem CID59682256
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one
SMILESC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@@H]1C
InChIInChI=1S/C14H28O3Si/c1-9-11(3)16-13(15)10(2)12(9)17-18(7,8)14(4,5)6/h9-12H,1-8H3/t9-,10+,11+,12-/m0/s1
InChIKeyPHJFENWROYUOCN-QCNOEVLYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.59
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 (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one?
The IUPAC name of (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one (CID 59682256) is (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one.
What is the SMILES notation for (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one?
The canonical SMILES for (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one is C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@@H]1C.
What is the InChIKey of (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one?
The InChIKey is PHJFENWROYUOCN-QCNOEVLYSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-9-11(3)16-13(15)10(2)12(9)17-18(7,8)14(4,5)6/h9-12H,1-8H3/t9-,10+,11+,12-/m0/s1.
What are the key properties of (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one?
(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one has a molecular weight of 272.46 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,6-trimethyloxan-2-one is sourced from PubChem (CID 59682256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).