[(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate

C21H40O5Si — CID 11618260

IUPAC[(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](C)O[C@@]2(O[C@@H](C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C)[C@@H]1C
InChIInChI=1S/C21H40O5Si/c1-13-11-18(23-17(5)22)15(3)21(24-13)16(4)19(12-14(2)25-21)26-27(9,10)20(6,7)8/h13-16,18-19H,11-12H2,1-10H3/t13-,14-,15+,16-,18+,19+,21+/m0/s1
InChIKeyPIJGUBFCIKCOMQ-YCZRDLQQSA-N
MW400.63 g/mol
LogP4.89
Rot. Bonds3

About [(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate

[(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate (PubChem CID 11618260) has the molecular formula C21H40O5Si and a molecular weight of 400.63 g/mol. Its IUPAC name is [(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate.

Molecular Properties

Compound Name[(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate
PubChem CID11618260
Molecular FormulaC21H40O5Si
Molecular Weight400.63 g/mol
Exact Mass400.26
IUPAC Name[(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@H](C)O[C@@]2(O[C@@H](C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C)[C@@H]1C
InChIInChI=1S/C21H40O5Si/c1-13-11-18(23-17(5)22)15(3)21(24-13)16(4)19(12-14(2)25-21)26-27(9,10)20(6,7)8/h13-16,18-19H,11-12H2,1-10H3/t13-,14-,15+,16-,18+,19+,21+/m0/s1
InChIKeyPIJGUBFCIKCOMQ-YCZRDLQQSA-N
XLogP4.89
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.63
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl] acetate
CID 11773168
tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane
CID 134940741
tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 135054611
tert-butyl-[[(4S,10S,12R)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane
CID 135056052
[(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate
CID 11598781
tert-butyl-[[(2S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 11648250
tert-butyl-[[(3R,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 102333490
[(2R,4R,5R,6R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 102333493
tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 102333494
2-[4-[Tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde
CID 21246038
tert-butyl-[(2R,3R,4S)-2-[(2S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-4-methylhexan-3-yl]oxy-dimethylsilane
CID 60066555
[(2S,4S,5R)-6-(methoxymethyl)-2,4-dimethyl-5-(2-trimethylsilylethoxymethoxy)oxan-3-yl] acetate
CID 60092395

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate?
The IUPAC name of [(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate (CID 11618260) is [(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate.
What is the SMILES notation for [(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate?
The canonical SMILES for [(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate is CC(=O)O[C@@H]1C[C@H](C)O[C@@]2(O[C@@H](C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2C)[C@@H]1C.
What is the InChIKey of [(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate?
The InChIKey is PIJGUBFCIKCOMQ-YCZRDLQQSA-N. The full InChI is InChI=1S/C21H40O5Si/c1-13-11-18(23-17(5)22)15(3)21(24-13)16(4)19(12-14(2)25-21)26-27(9,10)20(6,7)8/h13-16,18-19H,11-12H2,1-10H3/t13-,14-,15+,16-,18+,19+,21+/m0/s1.
What are the key properties of [(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate?
[(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate has a molecular weight of 400.63 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5S,6R,8S,10R,11R)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,8,11-tetramethyl-1,7-dioxaspiro[5.5]undecan-10-yl] acetate is sourced from PubChem (CID 11618260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).