(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol

C26H54O6Si2 — CID 10577839

IUPAC(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
SMILESCC[Si](CC)(CC)OCC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]2(C[C@@](C)(O)C[C@H](CCO)O2)O1
InChIInChI=1S/C26H54O6Si2/c1-10-34(11-2,12-3)29-16-14-21-17-23(32-33(8,9)24(4,5)6)19-26(30-21)20-25(7,28)18-22(31-26)13-15-27/h21-23,27-28H,10-20H2,1-9H3/t21-,22-,23-,25-,26+/m0/s1
InChIKeyYHOQNWHGQIXFMZ-QKYIWSEVSA-N
MW518.88 g/mol
LogP5.98
Rot. Bonds11

About (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol

(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol (PubChem CID 10577839) has the molecular formula C26H54O6Si2 and a molecular weight of 518.88 g/mol. Its IUPAC name is (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
PubChem CID10577839
Molecular FormulaC26H54O6Si2
Molecular Weight518.88 g/mol
Exact Mass518.35
IUPAC Name(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol
SMILESCC[Si](CC)(CC)OCC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]2(C[C@@](C)(O)C[C@H](CCO)O2)O1
InChIInChI=1S/C26H54O6Si2/c1-10-34(11-2,12-3)29-16-14-21-17-23(32-33(8,9)24(4,5)6)19-26(30-21)20-25(7,28)18-22(31-26)13-15-27/h21-23,27-28H,10-20H2,1-9H3/t21-,22-,23-,25-,26+/m0/s1
InChIKeyYHOQNWHGQIXFMZ-QKYIWSEVSA-N
XLogP5.98
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.88
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol?
The IUPAC name of (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol (CID 10577839) is (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol.
What is the SMILES notation for (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol?
The canonical SMILES for (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol is CC[Si](CC)(CC)OCC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@]2(C[C@@](C)(O)C[C@H](CCO)O2)O1.
What is the InChIKey of (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol?
The InChIKey is YHOQNWHGQIXFMZ-QKYIWSEVSA-N. The full InChI is InChI=1S/C26H54O6Si2/c1-10-34(11-2,12-3)29-16-14-21-17-23(32-33(8,9)24(4,5)6)19-26(30-21)20-25(7,28)18-22(31-26)13-15-27/h21-23,27-28H,10-20H2,1-9H3/t21-,22-,23-,25-,26+/m0/s1.
What are the key properties of (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol?
(2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol has a molecular weight of 518.88 g/mol, XLogP of 5.98, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6R,8S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)-4-methyl-8-(2-triethylsilyloxyethyl)-1,7-dioxaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 10577839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).