(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one

C15H28O3Si — CID 102325120

IUPAC(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one
SMILESCCCC#CC(=O)[C@](C)(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-8-9-10-11-13(16)15(5,17)12-18-19(6,7)14(2,3)4/h17H,8-9,12H2,1-7H3/t15-/m1/s1
InChIKeyHIGMGCUQSJCMHT-OAHLLOKOSA-N
MW284.47 g/mol
LogP3.13
Rot. Bonds5

About (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one

(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one (PubChem CID 102325120) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one
PubChem CID102325120
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one
SMILESCCCC#CC(=O)[C@](C)(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-8-9-10-11-13(16)15(5,17)12-18-19(6,7)14(2,3)4/h17H,8-9,12H2,1-7H3/t15-/m1/s1
InChIKeyHIGMGCUQSJCMHT-OAHLLOKOSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[Tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylbutan-2-one
CID 157765581
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methylpent-4-ynal
CID 101256241
(2S,6R,7R)-1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-2-methyloct-4-yn-3-one
CID 102245347

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one?
The IUPAC name of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one (CID 102325120) is (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one.
What is the SMILES notation for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one?
The canonical SMILES for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one is CCCC#CC(=O)[C@](C)(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one?
The InChIKey is HIGMGCUQSJCMHT-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-8-9-10-11-13(16)15(5,17)12-18-19(6,7)14(2,3)4/h17H,8-9,12H2,1-7H3/t15-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one?
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one has a molecular weight of 284.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2-methyloct-4-yn-3-one is sourced from PubChem (CID 102325120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).