[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate

C12H26O3Si — CID 46236584

IUPAC[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-10(15-11(2)13)8-9-14-16(6,7)12(3,4)5/h10H,8-9H2,1-7H3/t10-/m1/s1
InChIKeyYMLDZNYYQAVKCL-SNVBAGLBSA-N
MW246.42 g/mol
LogP3.35
Rot. Bonds5

About [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate

[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate (PubChem CID 46236584) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
PubChem CID46236584
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-10(15-11(2)13)8-9-14-16(6,7)12(3,4)5/h10H,8-9H2,1-7H3/t10-/m1/s1
InChIKeyYMLDZNYYQAVKCL-SNVBAGLBSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.35
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 [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate?
The IUPAC name of [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate (CID 46236584) is [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate.
What is the SMILES notation for [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate?
The canonical SMILES for [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate is CC(=O)O[C@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate?
The InChIKey is YMLDZNYYQAVKCL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-10(15-11(2)13)8-9-14-16(6,7)12(3,4)5/h10H,8-9H2,1-7H3/t10-/m1/s1.
What are the key properties of [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate?
[(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate has a molecular weight of 246.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate is sourced from PubChem (CID 46236584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).