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

C11H24O2Si — CID 100967269

IUPAC(3S,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-SCZZXKLOSA-N
MW216.40 g/mol
LogP2.83
Rot. Bonds3

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

(3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one (PubChem CID 100967269) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one
PubChem CID100967269
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name(3S,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-SCZZXKLOSA-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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Related Compounds

(3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxy-3-methylpentan-2-one
CID 100967271
(2S,3R)-3-[tert-butyl(dimethyl)silyl]pent-4-en-2-ol
CID 134901157
4,6-bis[tert-butyl(dimethyl)silyl]-2-methylhex-2-enoic acid
CID 57042489
3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid
CID 141142277
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
3-[tert-butyl(dimethyl)silyl]pentanedioic acid
CID 174743819
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydroxyhexan-2-one
CID 16756247
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
cyclopentyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]-3-hydroxy-3-phenylpropanoate
CID 10450451
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378
1-[tert-butyl(dimethyl)silyl]prop-2-yn-1-ol
CID 15500749

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one?
The IUPAC name of (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one (CID 100967269) is (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one.
What is the SMILES notation for (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one?
The canonical SMILES for (3S,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 (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one?
The InChIKey is MMOBMTDJHPTMAE-SCZZXKLOSA-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 (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one?
(3S,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 (3S,4R)-3-[tert-butyl(dimethyl)silyl]-4-hydroxypentan-2-one is sourced from PubChem (CID 100967269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).