(3R,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one

C11H24O2Si — CID 100967268

IUPAC(3R,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one
SMILESCC(=O)[C@@H]([C@@H](C)O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-8(12)10(9(2)13)14(6,7)11(3,4)5/h8,10,12H,1-7H3/t8-,10-/m1/s1
InChIKeyMMOBMTDJHPTMAE-PSASIEDQSA-N
MW216.40 g/mol
LogP2.83
Rot. Bonds3

About (3R,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one

(3R,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one (PubChem CID 100967268) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is (3R,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one.

Molecular Properties

Compound Name(3R,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one
PubChem CID100967268
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name(3R,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one
SMILESCC(=O)[C@@H]([C@@H](C)O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-8(12)10(9(2)13)14(6,7)11(3,4)5/h8,10,12H,1-7H3/t8-,10-/m1/s1
InChIKeyMMOBMTDJHPTMAE-PSASIEDQSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one?
The IUPAC name of (3R,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one (CID 100967268) is (3R,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one.
What is the SMILES notation for (3R,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one?
The canonical SMILES for (3R,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one is CC(=O)[C@@H]([C@@H](C)O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one?
The InChIKey is MMOBMTDJHPTMAE-PSASIEDQSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-8(12)10(9(2)13)14(6,7)11(3,4)5/h8,10,12H,1-7H3/t8-,10-/m1/s1.
What are the key properties of (3R,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one?
(3R,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one has a molecular weight of 216.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one is sourced from PubChem (CID 100967268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).