(3R)-3-methoxy-3-(2-triethylsilylethynyl)-5-trimethylsilylpent-4-yn-2-one

C17H30O2Si2 — CID 11709573

IUPAC(3R)-3-methoxy-3-(2-triethylsilylethynyl)-5-trimethylsilylpent-4-yn-2-one
SMILESCC[Si](C#C[C@@](C#C[Si](C)(C)C)(OC)C(C)=O)(CC)CC
InChIInChI=1S/C17H30O2Si2/c1-9-21(10-2,11-3)15-13-17(19-5,16(4)18)12-14-20(6,7)8/h9-11H2,1-8H3/t17-/m1/s1
InChIKeyYBLSWKYLWKUSOJ-QGZVFWFLSA-N
MW322.60 g/mol
LogP3.89
Rot. Bonds5

About (3R)-3-methoxy-3-(2-triethylsilylethynyl)-5-trimethylsilylpent-4-yn-2-one

(3R)-3-methoxy-3-(2-triethylsilylethynyl)-5-trimethylsilylpent-4-yn-2-one (PubChem CID 11709573) has the molecular formula C17H30O2Si2 and a molecular weight of 322.60 g/mol. Its IUPAC name is (3R)-3-methoxy-3-(2-triethylsilylethynyl)-5-trimethylsilylpent-4-yn-2-one.

Molecular Properties

Compound Name(3R)-3-methoxy-3-(2-triethylsilylethynyl)-5-trimethylsilylpent-4-yn-2-one
PubChem CID11709573
Molecular FormulaC17H30O2Si2
Molecular Weight322.60 g/mol
Exact Mass322.18
IUPAC Name(3R)-3-methoxy-3-(2-triethylsilylethynyl)-5-trimethylsilylpent-4-yn-2-one
SMILESCC[Si](C#C[C@@](C#C[Si](C)(C)C)(OC)C(C)=O)(CC)CC
InChIInChI=1S/C17H30O2Si2/c1-9-21(10-2,11-3)15-13-17(19-5,16(4)18)12-14-20(6,7)8/h9-11H2,1-8H3/t17-/m1/s1
InChIKeyYBLSWKYLWKUSOJ-QGZVFWFLSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.60
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxy-3-(2-triethylsilylethynyl)-5-trimethylsilylpent-4-yn-2-one?
The IUPAC name of (3R)-3-methoxy-3-(2-triethylsilylethynyl)-5-trimethylsilylpent-4-yn-2-one (CID 11709573) is (3R)-3-methoxy-3-(2-triethylsilylethynyl)-5-trimethylsilylpent-4-yn-2-one.
What is the SMILES notation for (3R)-3-methoxy-3-(2-triethylsilylethynyl)-5-trimethylsilylpent-4-yn-2-one?
The canonical SMILES for (3R)-3-methoxy-3-(2-triethylsilylethynyl)-5-trimethylsilylpent-4-yn-2-one is CC[Si](C#C[C@@](C#C[Si](C)(C)C)(OC)C(C)=O)(CC)CC.
What is the InChIKey of (3R)-3-methoxy-3-(2-triethylsilylethynyl)-5-trimethylsilylpent-4-yn-2-one?
The InChIKey is YBLSWKYLWKUSOJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H30O2Si2/c1-9-21(10-2,11-3)15-13-17(19-5,16(4)18)12-14-20(6,7)8/h9-11H2,1-8H3/t17-/m1/s1.
What are the key properties of (3R)-3-methoxy-3-(2-triethylsilylethynyl)-5-trimethylsilylpent-4-yn-2-one?
(3R)-3-methoxy-3-(2-triethylsilylethynyl)-5-trimethylsilylpent-4-yn-2-one has a molecular weight of 322.60 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxy-3-(2-triethylsilylethynyl)-5-trimethylsilylpent-4-yn-2-one is sourced from PubChem (CID 11709573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).