(2R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-one

C29H60O4Si3 — CID 10530836

IUPAC(2R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-one
SMILESCC[Si](CC)(CC)O[C@](C)(CC#CC(=O)C[C@@H](C)O[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H60O4Si3/c1-16-36(17-2,18-3)33-29(11,22-23-31-34(12,13)27(5,6)7)21-19-20-26(30)24-25(4)32-35(14,15)28(8,9)10/h25H,16-18,21-24H2,1-15H3/t25-,29-/m1/s1
InChIKeyKZYCLXUVGYCXJV-VAVYLYDRSA-N
MW557.05 g/mol
LogP8.94
Rot. Bonds14

About (2R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-one

(2R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-one (PubChem CID 10530836) has the molecular formula C29H60O4Si3 and a molecular weight of 557.05 g/mol. Its IUPAC name is (2R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-one.

Molecular Properties

Compound Name(2R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-one
PubChem CID10530836
Molecular FormulaC29H60O4Si3
Molecular Weight557.05 g/mol
Exact Mass556.38
IUPAC Name(2R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-one
SMILESCC[Si](CC)(CC)O[C@](C)(CC#CC(=O)C[C@@H](C)O[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H60O4Si3/c1-16-36(17-2,18-3)33-29(11,22-23-31-34(12,13)27(5,6)7)21-19-20-26(30)24-25(4)32-35(14,15)28(8,9)10/h25H,16-18,21-24H2,1-15H3/t25-,29-/m1/s1
InChIKeyKZYCLXUVGYCXJV-VAVYLYDRSA-N
XLogP8.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.05
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1,9-Bis[[tert-butyl(dimethyl)silyl]oxy]non-4-yn-3-one
CID 11452321
CID 134880709
CID 134880709
(2S,6S,7S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyl-7,9-bis(triethylsilyloxy)non-4-yn-3-one
CID 101756874

Frequently Asked Questions

What is the IUPAC name of (2R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-one?
The IUPAC name of (2R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-one (CID 10530836) is (2R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-one.
What is the SMILES notation for (2R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-one?
The canonical SMILES for (2R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-one is CC[Si](CC)(CC)O[C@](C)(CC#CC(=O)C[C@@H](C)O[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-one?
The InChIKey is KZYCLXUVGYCXJV-VAVYLYDRSA-N. The full InChI is InChI=1S/C29H60O4Si3/c1-16-36(17-2,18-3)33-29(11,22-23-31-34(12,13)27(5,6)7)21-19-20-26(30)24-25(4)32-35(14,15)28(8,9)10/h25H,16-18,21-24H2,1-15H3/t25-,29-/m1/s1.
What are the key properties of (2R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-one?
(2R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-one has a molecular weight of 557.05 g/mol, XLogP of 8.94, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-one is sourced from PubChem (CID 10530836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).