methyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate

C19H42O5Si2 — CID 10409092

IUPACmethyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate
SMILESCOC(=O)C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O5Si2/c1-18(2,3)25(8,9)23-13-15(12-17(21)22-7)16(20)14-24-26(10,11)19(4,5)6/h15-16,20H,12-14H2,1-11H3/t15-,16-/m1/s1
InChIKeyZETCVLYIZNMKDM-HZPDHXFCSA-N
MW406.71 g/mol
LogP4.57
Rot. Bonds9

About methyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate

methyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate (PubChem CID 10409092) has the molecular formula C19H42O5Si2 and a molecular weight of 406.71 g/mol. Its IUPAC name is methyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate.

Molecular Properties

Compound Namemethyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate
PubChem CID10409092
Molecular FormulaC19H42O5Si2
Molecular Weight406.71 g/mol
Exact Mass406.26
IUPAC Namemethyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate
SMILESCOC(=O)C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O5Si2/c1-18(2,3)25(8,9)23-13-15(12-17(21)22-7)16(20)14-24-26(10,11)19(4,5)6/h15-16,20H,12-14H2,1-11H3/t15-,16-/m1/s1
InChIKeyZETCVLYIZNMKDM-HZPDHXFCSA-N
XLogP4.57
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.71
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 methyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate?
The IUPAC name of methyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate (CID 10409092) is methyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate.
What is the SMILES notation for methyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate?
The canonical SMILES for methyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate is COC(=O)C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate?
The InChIKey is ZETCVLYIZNMKDM-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H42O5Si2/c1-18(2,3)25(8,9)23-13-15(12-17(21)22-7)16(20)14-24-26(10,11)19(4,5)6/h15-16,20H,12-14H2,1-11H3/t15-,16-/m1/s1.
What are the key properties of methyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate?
methyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate has a molecular weight of 406.71 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxypentanoate is sourced from PubChem (CID 10409092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).