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

C29H62O4Si3 — CID 11800965

IUPAC(2R,4R,8R)-2,10-bis[[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)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H62O4Si3/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/h25-26,30H,16-18,21-24H2,1-15H3/t25-,26+,29-/m1/s1
InChIKeyICFORSUZNDNHMS-UWPQIUOOSA-N
MW559.07 g/mol
LogP8.73
Rot. Bonds14

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

(2R,4R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-ol (PubChem CID 11800965) has the molecular formula C29H62O4Si3 and a molecular weight of 559.07 g/mol. Its IUPAC name is (2R,4R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-ol.

Molecular Properties

Compound Name(2R,4R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-ol
PubChem CID11800965
Molecular FormulaC29H62O4Si3
Molecular Weight559.07 g/mol
Exact Mass558.40
IUPAC Name(2R,4R,8R)-2,10-bis[[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)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H62O4Si3/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/h25-26,30H,16-18,21-24H2,1-15H3/t25-,26+,29-/m1/s1
InChIKeyICFORSUZNDNHMS-UWPQIUOOSA-N
XLogP8.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.07
LogP ≤ 58.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,4R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-ol?
The IUPAC name of (2R,4R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-ol (CID 11800965) is (2R,4R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-ol.
What is the SMILES notation for (2R,4R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-ol?
The canonical SMILES for (2R,4R,8R)-2,10-bis[[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)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-ol?
The InChIKey is ICFORSUZNDNHMS-UWPQIUOOSA-N. The full InChI is InChI=1S/C29H62O4Si3/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/h25-26,30H,16-18,21-24H2,1-15H3/t25-,26+,29-/m1/s1.
What are the key properties of (2R,4R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-ol?
(2R,4R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-ol has a molecular weight of 559.07 g/mol, XLogP of 8.73, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,8R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-8-methyl-8-triethylsilyloxydec-5-yn-4-ol is sourced from PubChem (CID 11800965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).