(2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal

C21H52O6Si5 — CID 101280607

IUPAC(2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
SMILESC[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C21H52O6Si5/c1-28(2,3)23-17-19(25-30(7,8)9)21(27-32(13,14)15)20(26-31(10,11)12)18(16-22)24-29(4,5)6/h16,18-21H,17H2,1-15H3/t18-,19-,20+,21-/m0/s1
InChIKeyPPTMWEDTYQRQBC-BURNTYAHSA-N
MW541.07 g/mol
LogP5.92
Rot. Bonds15

About (2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal

(2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal (PubChem CID 101280607) has the molecular formula C21H52O6Si5 and a molecular weight of 541.07 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
PubChem CID101280607
Molecular FormulaC21H52O6Si5
Molecular Weight541.07 g/mol
Exact Mass540.26
IUPAC Name(2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal
SMILESC[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C
InChIInChI=1S/C21H52O6Si5/c1-28(2,3)23-17-19(25-30(7,8)9)21(27-32(13,14)15)20(26-31(10,11)12)18(16-22)24-29(4,5)6/h16,18-21H,17H2,1-15H3/t18-,19-,20+,21-/m0/s1
InChIKeyPPTMWEDTYQRQBC-BURNTYAHSA-N
XLogP5.92
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.07
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal?
The IUPAC name of (2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal (CID 101280607) is (2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal.
What is the SMILES notation for (2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal?
The canonical SMILES for (2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal is C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C.
What is the InChIKey of (2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal?
The InChIKey is PPTMWEDTYQRQBC-BURNTYAHSA-N. The full InChI is InChI=1S/C21H52O6Si5/c1-28(2,3)23-17-19(25-30(7,8)9)21(27-32(13,14)15)20(26-31(10,11)12)18(16-22)24-29(4,5)6/h16,18-21H,17H2,1-15H3/t18-,19-,20+,21-/m0/s1.
What are the key properties of (2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal?
(2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal has a molecular weight of 541.07 g/mol, XLogP of 5.92, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2,3,4,5,6-pentakis(trimethylsilyloxy)hexanal is sourced from PubChem (CID 101280607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).