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

C29H62O3Si3 — CID 10530547

IUPAC(2R,4S,8R)-10-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-8-methyl-8-triethylsilyloxydec-5-yn-4-ol
SMILESCC[Si](CC)(CC)O[C@](C)(CC#C[C@@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C)CC[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H62O3Si3/c1-16-35(17-2,18-3)32-29(11,22-23-33(12,13)27(5,6)7)21-19-20-26(30)24-25(4)31-34(14,15)28(8,9)10/h25-26,30H,16-18,21-24H2,1-15H3/t25-,26-,29-/m1/s1
InChIKeyCJSRQZLKXJFUGC-WWPJHQMMSA-N
MW543.07 g/mol
LogP9.22
Rot. Bonds13

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

(2R,4S,8R)-10-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-8-methyl-8-triethylsilyloxydec-5-yn-4-ol (PubChem CID 10530547) has the molecular formula C29H62O3Si3 and a molecular weight of 543.07 g/mol. Its IUPAC name is (2R,4S,8R)-10-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-8-methyl-8-triethylsilyloxydec-5-yn-4-ol.

Molecular Properties

Compound Name(2R,4S,8R)-10-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-8-methyl-8-triethylsilyloxydec-5-yn-4-ol
PubChem CID10530547
Molecular FormulaC29H62O3Si3
Molecular Weight543.07 g/mol
Exact Mass542.40
IUPAC Name(2R,4S,8R)-10-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-8-methyl-8-triethylsilyloxydec-5-yn-4-ol
SMILESCC[Si](CC)(CC)O[C@](C)(CC#C[C@@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C)CC[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H62O3Si3/c1-16-35(17-2,18-3)32-29(11,22-23-33(12,13)27(5,6)7)21-19-20-26(30)24-25(4)31-34(14,15)28(8,9)10/h25-26,30H,16-18,21-24H2,1-15H3/t25-,26-,29-/m1/s1
InChIKeyCJSRQZLKXJFUGC-WWPJHQMMSA-N
XLogP9.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.07
LogP ≤ 59.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2R,4S,8R)-10-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-8-methyl-8-triethylsilyloxydec-5-yn-4-ol?
The IUPAC name of (2R,4S,8R)-10-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-8-methyl-8-triethylsilyloxydec-5-yn-4-ol (CID 10530547) is (2R,4S,8R)-10-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-8-methyl-8-triethylsilyloxydec-5-yn-4-ol.
What is the SMILES notation for (2R,4S,8R)-10-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-8-methyl-8-triethylsilyloxydec-5-yn-4-ol?
The canonical SMILES for (2R,4S,8R)-10-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-8-methyl-8-triethylsilyloxydec-5-yn-4-ol is CC[Si](CC)(CC)O[C@](C)(CC#C[C@@H](O)C[C@@H](C)O[Si](C)(C)C(C)(C)C)CC[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4S,8R)-10-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-8-methyl-8-triethylsilyloxydec-5-yn-4-ol?
The InChIKey is CJSRQZLKXJFUGC-WWPJHQMMSA-N. The full InChI is InChI=1S/C29H62O3Si3/c1-16-35(17-2,18-3)32-29(11,22-23-33(12,13)27(5,6)7)21-19-20-26(30)24-25(4)31-34(14,15)28(8,9)10/h25-26,30H,16-18,21-24H2,1-15H3/t25-,26-,29-/m1/s1.
What are the key properties of (2R,4S,8R)-10-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-8-methyl-8-triethylsilyloxydec-5-yn-4-ol?
(2R,4S,8R)-10-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-8-methyl-8-triethylsilyloxydec-5-yn-4-ol has a molecular weight of 543.07 g/mol, XLogP of 9.22, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,8R)-10-[tert-butyl(dimethyl)silyl]-2-[tert-butyl(dimethyl)silyl]oxy-8-methyl-8-triethylsilyloxydec-5-yn-4-ol is sourced from PubChem (CID 10530547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).