1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone

C14H28O3Si — CID 54574796

IUPAC1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone
SMILESCC(=O)[C@H]1OC[C@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-10-8-12(13(11(2)15)16-9-10)17-18(6,7)14(3,4)5/h10,12-13H,8-9H2,1-7H3/t10-,12+,13-/m1/s1
InChIKeyZZUVYIOCQOQVCV-KGYLQXTDSA-N
MW272.46 g/mol
LogP3.39
Rot. Bonds3

About 1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone

1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone (PubChem CID 54574796) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is 1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone
PubChem CID54574796
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone
SMILESCC(=O)[C@H]1OC[C@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O3Si/c1-10-8-12(13(11(2)15)16-9-10)17-18(6,7)14(3,4)5/h10,12-13H,8-9H2,1-7H3/t10-,12+,13-/m1/s1
InChIKeyZZUVYIOCQOQVCV-KGYLQXTDSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.39
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 1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone?
The IUPAC name of 1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone (CID 54574796) is 1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone?
The canonical SMILES for 1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone is CC(=O)[C@H]1OC[C@H](C)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone?
The InChIKey is ZZUVYIOCQOQVCV-KGYLQXTDSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-10-8-12(13(11(2)15)16-9-10)17-18(6,7)14(3,4)5/h10,12-13H,8-9H2,1-7H3/t10-,12+,13-/m1/s1.
What are the key properties of 1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone?
1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone has a molecular weight of 272.46 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxan-2-yl]ethanone is sourced from PubChem (CID 54574796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).