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

C24H46O7Si — CID 10743155

IUPACtert-butyl 2-[(2S,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-(2-hydroxyethyl)-4-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
SMILESCC(C)(C)OC(=O)C[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/C24H46O7Si/c1-21(2,3)30-20(26)13-18-12-19(31-32(8,9)22(4,5)6)15-24(29-18)16-23(7,27)14-17(28-24)10-11-25/h17-19,25,27H,10-16H2,1-9H3/t17-,18+,19-,23-,24-/m0/s1
InChIKeyOVKRAQGVGOZXRD-RNWLQCGYSA-N
MW474.71 g/mol
LogP4.30
Rot. Bonds6

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

tert-butyl 2-[(2S,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-(2-hydroxyethyl)-4-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]acetate (PubChem CID 10743155) has the molecular formula C24H46O7Si and a molecular weight of 474.71 g/mol. Its IUPAC name is tert-butyl 2-[(2S,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-(2-hydroxyethyl)-4-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2S,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-(2-hydroxyethyl)-4-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
PubChem CID10743155
Molecular FormulaC24H46O7Si
Molecular Weight474.71 g/mol
Exact Mass474.30
IUPAC Nametert-butyl 2-[(2S,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-(2-hydroxyethyl)-4-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
SMILESCC(C)(C)OC(=O)C[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/C24H46O7Si/c1-21(2,3)30-20(26)13-18-12-19(31-32(8,9)22(4,5)6)15-24(29-18)16-23(7,27)14-17(28-24)10-11-25/h17-19,25,27H,10-16H2,1-9H3/t17-,18+,19-,23-,24-/m0/s1
InChIKeyOVKRAQGVGOZXRD-RNWLQCGYSA-N
XLogP4.30
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.71
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,6R)-6-[[(4S,8R,11S)-8-methyl-11-propan-2-yl-1,5-dioxaspiro[5.5]undecan-4-yl]methyl]oxan-2-yl]butanoic acid
CID 11478035
ethyl (3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,6-dimethylheptanoate
CID 11174970
(3S,4S,6S,8R,10S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecanoic acid
CID 11248466
ethyl (2S)-2-[(2S,4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propanoate
CID 11353518
ethyl (2R)-2-[(2S,4R,6R)-6-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]-2-hydroxy-4-tri(propan-2-yl)silyloxyoxan-2-yl]propanoate
CID 11753319
2-[(2S,3S,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-2-methylcyclopropyl]ethyl]-3-methyl-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetic acid
CID 24862302
methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate
CID 24879906
methyl (2R,3S,4S,5S)-7-hydroxy-5-(methoxymethoxy)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyheptanoate
CID 42600666
[6-(6-Hydroxy-4-methoxy-2-methyl-nonyl)-4-methoxymethoxy-tetrahydro-pyran-2-yl]-acetic acid
CID 46844934
methyl 2-[(2R,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2S)-3-[(2R,3S,6S)-6-[(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]-3-methyloxan-2-yl]-2-hydroxypropyl]oxan-2-yl]acetate
CID 101216701
Methyl (2rs,3rs,5s)-5-[t-butyl(dimethyl)-silyloxy]-2-hexyl-3-hydroxydecanoate
CID 129750031
Methyl (3r,5r)-5-{[t-butyl(dimethyl)silyl]-oxy}-6-[(7r)-5,5-dimethyl-4,6-dioxaspiro[2.5]oct-7-yl]-3-methylhexanoate
CID 129758728

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2S,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-(2-hydroxyethyl)-4-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]acetate?
The IUPAC name of tert-butyl 2-[(2S,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-(2-hydroxyethyl)-4-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]acetate (CID 10743155) is tert-butyl 2-[(2S,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-(2-hydroxyethyl)-4-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(2S,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-(2-hydroxyethyl)-4-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]acetate?
The canonical SMILES for tert-butyl 2-[(2S,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-(2-hydroxyethyl)-4-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]acetate is CC(C)(C)OC(=O)C[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 tert-butyl 2-[(2S,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-(2-hydroxyethyl)-4-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]acetate?
The InChIKey is OVKRAQGVGOZXRD-RNWLQCGYSA-N. The full InChI is InChI=1S/C24H46O7Si/c1-21(2,3)30-20(26)13-18-12-19(31-32(8,9)22(4,5)6)15-24(29-18)16-23(7,27)14-17(28-24)10-11-25/h17-19,25,27H,10-16H2,1-9H3/t17-,18+,19-,23-,24-/m0/s1.
What are the key properties of tert-butyl 2-[(2S,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-(2-hydroxyethyl)-4-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]acetate?
tert-butyl 2-[(2S,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-(2-hydroxyethyl)-4-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]acetate has a molecular weight of 474.71 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2S,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-2-(2-hydroxyethyl)-4-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]acetate is sourced from PubChem (CID 10743155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).