(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal

C12H22O3Si — CID 101256241

IUPAC(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal
SMILESC#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O)C=O
InChIInChI=1S/C12H22O3Si/c1-8-10(12(5,14)9-13)15-16(6,7)11(2,3)4/h1,9-10,14H,2-7H3/t10-,12+/m1/s1
InChIKeyYUIAGSMTBCJUOF-PWSUYJOCSA-N
MW242.39 g/mol
LogP1.96
Rot. Bonds4

About (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal

(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal (PubChem CID 101256241) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal.

Molecular Properties

Compound Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal
PubChem CID101256241
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal
SMILESC#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O)C=O
InChIInChI=1S/C12H22O3Si/c1-8-10(12(5,14)9-13)15-16(6,7)11(2,3)4/h1,9-10,14H,2-7H3/t10-,12+/m1/s1
InChIKeyYUIAGSMTBCJUOF-PWSUYJOCSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[Tert-butyl(dimethyl)silyl]peroxy-3-hydroxy-3-methylbutanal
CID 101410813
3-Hydroxy-3-methyl-2-tri(propan-2-yl)silylperoxybutanal
CID 101410814
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one
CID 102325120

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal?
The IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal (CID 101256241) is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal.
What is the SMILES notation for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal?
The canonical SMILES for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal is C#C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(O)C=O.
What is the InChIKey of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal?
The InChIKey is YUIAGSMTBCJUOF-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-8-10(12(5,14)9-13)15-16(6,7)11(2,3)4/h1,9-10,14H,2-7H3/t10-,12+/m1/s1.
What are the key properties of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal?
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal has a molecular weight of 242.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal is sourced from PubChem (CID 101256241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).