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

C11H24O2Si — CID 15448982

IUPAC(3S,4S)-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-/m0/s1
InChIKeyMMOBMTDJHPTMAE-WPRPVWTQSA-N
MW216.40 g/mol
LogP2.83
Rot. Bonds3

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

(3S,4S)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one (PubChem CID 15448982) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is (3S,4S)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one.

Molecular Properties

Compound Name(3S,4S)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one
PubChem CID15448982
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name(3S,4S)-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-/m0/s1
InChIKeyMMOBMTDJHPTMAE-WPRPVWTQSA-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 (3S,4S)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one?
The IUPAC name of (3S,4S)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one (CID 15448982) is (3S,4S)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one.
What is the SMILES notation for (3S,4S)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one?
The canonical SMILES for (3S,4S)-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 (3S,4S)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one?
The InChIKey is MMOBMTDJHPTMAE-WPRPVWTQSA-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-/m0/s1.
What are the key properties of (3S,4S)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one?
(3S,4S)-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 (3S,4S)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one is sourced from PubChem (CID 15448982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).