trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate

C21H52O6Si5 — CID 91746743

IUPACtrimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate
SMILESC[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](C[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H52O6Si5/c1-28(2,3)23-17-20(26-31(10,11)12)18(24-29(4,5)6)16-19(25-30(7,8)9)21(22)27-32(13,14)15/h18-20H,16-17H2,1-15H3/t18-,19+,20-/m1/s1
InChIKeyVXOUZNJSOAZDPY-HSALFYBXSA-N
MW541.07 g/mol
LogP6.27
Rot. Bonds14

About trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate

trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate (PubChem CID 91746743) has the molecular formula C21H52O6Si5 and a molecular weight of 541.07 g/mol. Its IUPAC name is trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate.

Molecular Properties

Compound Nametrimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate
PubChem CID91746743
Molecular FormulaC21H52O6Si5
Molecular Weight541.07 g/mol
Exact Mass540.26
IUPAC Nametrimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate
SMILESC[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](C[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H52O6Si5/c1-28(2,3)23-17-20(26-31(10,11)12)18(24-29(4,5)6)16-19(25-30(7,8)9)21(22)27-32(13,14)15/h18-20H,16-17H2,1-15H3/t18-,19+,20-/m1/s1
InChIKeyVXOUZNJSOAZDPY-HSALFYBXSA-N
XLogP6.27
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.07
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate with MolForge

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Related Compounds

bis(trimethylsilyl) (2S,4R)-2,4-bis(trimethylsilyloxy)pentanedioate
CID 523360
trimethylsilyl (2R,3S)-2,3,4-tris(trimethylsilyloxy)butanoate
CID 15720760
trimethylsilyl (3R,4S)-2,3,4,5-tetrakis(trimethylsilyloxy)pentanoate
CID 91753644
trimethylsilyl (2S,4S)-2,4-bis(trimethylsilyloxy)pentanoate
CID 523348
bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate
CID 522155
(3R,4S)-1,3,4,5-tetrakis(trimethylsilyloxy)pentan-2-one
CID 91753982
trimethylsilyl 2-trimethylsilyloxyoctanoate
CID 91730031
trimethylsilyl 2-bis(trimethylsilyloxy)phosphoryloxy-3-trimethylsilyloxypropanoate
CID 553778
(3R,4R,5S)-3,4,5,6-tetrakis(trimethylsilyloxy)hexan-2-one
CID 91750481
trimethyl-[1,2,5-tris(trimethylsilyloxy)pentan-3-yloxy]silane
CID 552765
trimethylsilyl (2S)-3-[(2R)-2,3-bis(trimethylsilyloxy)propoxy]-2-methylpropanoate
CID 162937304
(3S,4S,5S)-1,3,4,5,6-pentakis(trimethylsilyloxy)hexan-2-one
CID 91750505

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate?
The IUPAC name of trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate (CID 91746743) is trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate.
What is the SMILES notation for trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate?
The canonical SMILES for trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate is C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](C[C@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate?
The InChIKey is VXOUZNJSOAZDPY-HSALFYBXSA-N. The full InChI is InChI=1S/C21H52O6Si5/c1-28(2,3)23-17-20(26-31(10,11)12)18(24-29(4,5)6)16-19(25-30(7,8)9)21(22)27-32(13,14)15/h18-20H,16-17H2,1-15H3/t18-,19+,20-/m1/s1.
What are the key properties of trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate?
trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate has a molecular weight of 541.07 g/mol, XLogP of 6.27, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S,4R,5R)-2,4,5,6-tetrakis(trimethylsilyloxy)hexanoate is sourced from PubChem (CID 91746743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).