trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate

C20H50O6Si5 — CID 91753644

IUPACtrimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate
SMILESC[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C20H50O6Si5/c1-27(2,3)22-16-17(23-28(4,5)6)18(24-29(7,8)9)19(25-30(10,11)12)20(21)26-31(13,14)15/h17-19H,16H2,1-15H3/t17-,18+,19?/m0/s1
InChIKeyHUHNYCQTXQUQCH-PAMZHZACSA-N
MW527.04 g/mol
LogP5.88
Rot. Bonds13

About trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate

trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate (PubChem CID 91753644) has the molecular formula C20H50O6Si5 and a molecular weight of 527.04 g/mol. Its IUPAC name is trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate.

Molecular Properties

Compound Nametrimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate
PubChem CID91753644
Molecular FormulaC20H50O6Si5
Molecular Weight527.04 g/mol
Exact Mass526.25
IUPAC Nametrimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate
SMILESC[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C20H50O6Si5/c1-27(2,3)22-16-17(23-28(4,5)6)18(24-29(7,8)9)19(25-30(10,11)12)20(21)26-31(13,14)15/h17-19H,16H2,1-15H3/t17-,18+,19?/m0/s1
InChIKeyHUHNYCQTXQUQCH-PAMZHZACSA-N
XLogP5.88
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.04
LogP ≤ 55.88
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

trimethylsilyl (2R,3S)-2,3,4-tris(trimethylsilyloxy)butanoate
CID 15720760
(3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one
CID 91750481
(3S,4S,5S)-1,3,4,5,6-pentakis(trimethylsilyloxy)hexan-2-one
CID 91750505
(3R,4S,5R)-1,3,4,5,6-pentakis(trimethylsilyloxy)hexan-2-one
CID 22212029
trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate
CID 91746743
(3R,4S)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one
CID 91753982
trimethylsilyl (2S,3R,4R,5S)-2,3,4,5-tetrakis(trimethylsilyloxy)hexanoate
CID 523378
(2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
CID 101280607
(3R,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
CID 91750476
(3S,4S,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexanal
CID 91750469
trimethyl-[(2R,3S,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexan-2-yl]oxysilane
CID 22214216
trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate
CID 162937304

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate?
The IUPAC name of trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate (CID 91753644) is trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate.
What is the SMILES notation for trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate?
The canonical SMILES for trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate is C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate?
The InChIKey is HUHNYCQTXQUQCH-PAMZHZACSA-N. The full InChI is InChI=1S/C20H50O6Si5/c1-27(2,3)22-16-17(23-28(4,5)6)18(24-29(7,8)9)19(25-30(10,11)12)20(21)26-31(13,14)15/h17-19H,16H2,1-15H3/t17-,18+,19?/m0/s1.
What are the key properties of trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate?
trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate has a molecular weight of 527.04 g/mol, XLogP of 5.88, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate is sourced from PubChem (CID 91753644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).