(3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxy-3-methylpentan-2-one

C12H26O2Si — CID 100967271

IUPAC(3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxy-3-methylpentan-2-one
SMILESCC(=O)[C@](C)([C@@H](C)O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-9(13)12(6,10(2)14)15(7,8)11(3,4)5/h9,13H,1-8H3/t9-,12+/m1/s1
InChIKeyJNZYHZUBWNJAHO-SKDRFNHKSA-N
MW230.42 g/mol
LogP3.22
Rot. Bonds3

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

(3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxy-3-methylpentan-2-one (PubChem CID 100967271) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxy-3-methylpentan-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxy-3-methylpentan-2-one
PubChem CID100967271
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxy-3-methylpentan-2-one
SMILESCC(=O)[C@](C)([C@@H](C)O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-9(13)12(6,10(2)14)15(7,8)11(3,4)5/h9,13H,1-8H3/t9-,12+/m1/s1
InChIKeyJNZYHZUBWNJAHO-SKDRFNHKSA-N
XLogP3.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-3-[tert-butyl-methyl-(phenylmethoxymethyl)silyl]-4-hydroxy-3-methylpentan-2-one
CID 100967302
(3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one
CID 100967269
(3R,4R)-3-ethyl-4-hydroxy-3-methylpentan-2-one
CID 101417410
methane;(2S)-1,1,1-trifluoropropan-2-ol;1,1,1-trifluoropropan-2-one
CID 157447507
(3R,4R)-3,4-dihydroxy-3,5-dimethylhexan-2-one
CID 131860482
(Z)-3,3,4,5,6,6,7-heptamethyloct-4-en-2-one
CID 166508440
(3S,4R)-3-amino-4-hydroxy-3,5-dimethylhexan-2-one
CID 158269541
(3R)-3-[(1R)-1-hydroxyethyl]-3-methylhex-5-en-2-one
CID 131227901
3,3-dimethylbutan-2-one;2-methylbutane
CID 91459434
1-[tert-butyl(dimethyl)silyl]propane-1,2-dione
CID 12929552
3,4-dimethyl-3-sulfanylpentan-2-one
CID 88635465
(2S,3R)-2-amino-N-tert-butyl-3-hydroxybutanamide
CID 164800238

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxy-3-methylpentan-2-one?
The IUPAC name of (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxy-3-methylpentan-2-one (CID 100967271) is (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxy-3-methylpentan-2-one.
What is the SMILES notation for (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxy-3-methylpentan-2-one?
The canonical SMILES for (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxy-3-methylpentan-2-one is CC(=O)[C@](C)([C@@H](C)O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxy-3-methylpentan-2-one?
The InChIKey is JNZYHZUBWNJAHO-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-9(13)12(6,10(2)14)15(7,8)11(3,4)5/h9,13H,1-8H3/t9-,12+/m1/s1.
What are the key properties of (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxy-3-methylpentan-2-one?
(3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxy-3-methylpentan-2-one has a molecular weight of 230.42 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxy-3-methylpentan-2-one is sourced from PubChem (CID 100967271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).