3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione

C18H32O7Si — CID 59917216

IUPAC3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione
SMILESCC1C(=O)OC(=O)C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1C
InChIInChI=1S/C18H32O7Si/c1-9-12(17(22)25-16(9)21)15-10(2)13(19)14(20)11(24-15)8-23-26(6,7)18(3,4)5/h9-15,19-20H,8H2,1-7H3
InChIKeyPPOQAVIHDDGOBZ-UHFFFAOYSA-N
MW388.53 g/mol
LogP1.47
Rot. Bonds4

About 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione

3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione (PubChem CID 59917216) has the molecular formula C18H32O7Si and a molecular weight of 388.53 g/mol. Its IUPAC name is 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione.

Molecular Properties

Compound Name3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione
PubChem CID59917216
Molecular FormulaC18H32O7Si
Molecular Weight388.53 g/mol
Exact Mass388.19
IUPAC Name3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione
SMILESCC1C(=O)OC(=O)C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1C
InChIInChI=1S/C18H32O7Si/c1-9-12(17(22)25-16(9)21)15-10(2)13(19)14(20)11(24-15)8-23-26(6,7)18(3,4)5/h9-15,19-20H,8H2,1-7H3
InChIKeyPPOQAVIHDDGOBZ-UHFFFAOYSA-N
XLogP1.47
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Scleroketide B
CID 170990578
(1R,2R,4R,5S,6R)-5-[ditert-butyl(fluoro)silyl]oxy-4-(hydroxymethyl)-3,7-dioxatricyclo[4.3.0.02,9]nonan-8-one
CID 101242534
(2R,3S,5R,6R)-3,6,9-tris[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-2,6-dimethylnonanoic acid
CID 54577710
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
(3R,4S,5S,6S)-6-[(2S,4R,5R,6R,7R)-4,6-dimethyl-3-oxo-7-triethylsilyloxy-5-trimethylsilyloxyoctan-2-yl]-4-hydroxy-3,5-dimethyloxan-2-one
CID 132553530
(1R,3S,5R,7R,18S)-7-[tert-butyl(dimethyl)silyl]oxy-13-[(1R)-1,2-dihydroxyethyl]-3-methoxy-18-methyl-12,19,20-trioxatricyclo[13.3.1.15,9]icosan-11-one
CID 134841387
tert-butyl (2R,5S,7S,8S)-5-[tert-butyl(dimethyl)silyl]oxy-2,7-dihydroxy-2,6-dimethyl-10-oxabicyclo[5.2.1]decane-8-carboxylate
CID 135013981
tert-butyl (1S,2R,5S,7S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-2,7-dihydroxy-2,6-dimethyl-10-oxabicyclo[5.2.1]decane-8-carboxylate
CID 135014219
dimethyl (2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-dodecyl-3-hydroxyoxolane-2,3-dicarboxylate
CID 135020847
ethyl (1R,2R,5R,6R,7R,8R,10R)-10-hydroxy-1,5-dimethyl-7-triethylsilyloxy-11-oxatricyclo[6.2.1.02,6]undecane-8-carboxylate
CID 139255191
methyl 2-((2R,3R,5R,6S)-6-((2R,3R,4R,6R)-6-((2S,3S,5S)-5-ethyl-5-((2R,5R,6S)-5-ethyl-6-methyl-5-((triethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)-3-methyltetrahydrofuran-2-yl)-3-hydroxy-4-methyl-5-oxooctan-2-yl)-3,5-dimethyltetrahydro-2H-pyran-2-yl)acetate
CID 154731518
methyl 2-((2R,3R,5R,6S)-6-((2R,3R,4S,6R)-6-((2S,3S,5S)-5-ethyl-5-((2R,5R,6S)-5-ethyl-6-methyl-5-((triethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)-3-methyltetrahydrofuran-2-yl)-3-hydroxy-4-methyl-5-oxooctan-2-yl)-3,5-dimethyltetrahydro-2H-pyran-2-yl)acetate
CID 154731539

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione?
The IUPAC name of 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione (CID 59917216) is 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione.
What is the SMILES notation for 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione?
The canonical SMILES for 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione is CC1C(=O)OC(=O)C1C1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1C.
What is the InChIKey of 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione?
The InChIKey is PPOQAVIHDDGOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O7Si/c1-9-12(17(22)25-16(9)21)15-10(2)13(19)14(20)11(24-15)8-23-26(6,7)18(3,4)5/h9-15,19-20H,8H2,1-7H3.
What are the key properties of 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione?
3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione has a molecular weight of 388.53 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dihydroxy-3-methyloxan-2-yl]-4-methyloxolane-2,5-dione is sourced from PubChem (CID 59917216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).