[(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate

C22H40O6Si — CID 11430301

IUPAC[(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate
SMILESCC[C@H](C)C(=O)O[C@H]1[C@H](OC(=O)[C@@H](C)CC)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40O6Si/c1-10-15(3)20(23)27-17-12-13-25-18(14-26-29(8,9)22(5,6)7)19(17)28-21(24)16(4)11-2/h12-13,15-19H,10-11,14H2,1-9H3/t15-,16-,17+,18+,19-/m0/s1
InChIKeyJVTZHXXHHUBATK-QTMHVTGLSA-N
MW428.64 g/mol
LogP4.84
Rot. Bonds9

About [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate

[(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate (PubChem CID 11430301) has the molecular formula C22H40O6Si and a molecular weight of 428.64 g/mol. Its IUPAC name is [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate.

Molecular Properties

Compound Name[(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate
PubChem CID11430301
Molecular FormulaC22H40O6Si
Molecular Weight428.64 g/mol
Exact Mass428.26
IUPAC Name[(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate
SMILESCC[C@H](C)C(=O)O[C@H]1[C@H](OC(=O)[C@@H](C)CC)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H40O6Si/c1-10-15(3)20(23)27-17-12-13-25-18(14-26-29(8,9)22(5,6)7)19(17)28-21(24)16(4)11-2/h12-13,15-19H,10-11,14H2,1-9H3/t15-,16-,17+,18+,19-/m0/s1
InChIKeyJVTZHXXHHUBATK-QTMHVTGLSA-N
XLogP4.84
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.64
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4R)-3-acetyloxy-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
CID 16213682
3,4-di-acetyl-6-O-(tert-butyldimethylsilyl)-D-Galactal
CID 10450207
D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-6-O-[(1,1-dimethylethyl)dimethylsilyl]-, 3,4-diacetate
CID 11405211
[(2R,3S,4R)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
CID 10450206
[(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] acetate
CID 11348035
3,4-Di-O-acetyl-6-O-(triisopropylsilyl)-D-glucal
CID 11731809
(2,2-Ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl) acetate
CID 72811302
[(2S,4S)-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
CID 102190482
[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
CID 134875305
[(2S,3S,4R)-3-acetyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-4-yl] acetate
CID 134882602
[(4aR,8R,8aS)-2,2-ditert-butyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-8-yl] 2,2-dimethylpropanoate
CID 135033709
[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 101338436

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate?
The IUPAC name of [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate (CID 11430301) is [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate.
What is the SMILES notation for [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate?
The canonical SMILES for [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate is CC[C@H](C)C(=O)O[C@H]1[C@H](OC(=O)[C@@H](C)CC)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate?
The InChIKey is JVTZHXXHHUBATK-QTMHVTGLSA-N. The full InChI is InChI=1S/C22H40O6Si/c1-10-15(3)20(23)27-17-12-13-25-18(14-26-29(8,9)22(5,6)7)19(17)28-21(24)16(4)11-2/h12-13,15-19H,10-11,14H2,1-9H3/t15-,16-,17+,18+,19-/m0/s1.
What are the key properties of [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate?
[(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate has a molecular weight of 428.64 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2S)-2-methylbutanoyl]oxy-3,4-dihydro-2H-pyran-4-yl] (2S)-2-methylbutanoate is sourced from PubChem (CID 11430301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).