(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal

C23H32O3Si — CID 10738822

IUPAC(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal
SMILESC[C@H](C=O)[C@@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O3Si/c1-18(16-24)22(25)19(2)17-26-27(23(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,18-19,22,25H,17H2,1-5H3/t18-,19-,22-/m1/s1
InChIKeyCLTHRKKKATWQAX-WOIUINJBSA-N
MW384.59 g/mol
LogP3.39
Rot. Bonds8

About (2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal

(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal (PubChem CID 10738822) has the molecular formula C23H32O3Si and a molecular weight of 384.59 g/mol. Its IUPAC name is (2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal.

Molecular Properties

Compound Name(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal
PubChem CID10738822
Molecular FormulaC23H32O3Si
Molecular Weight384.59 g/mol
Exact Mass384.21
IUPAC Name(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal
SMILESC[C@H](C=O)[C@@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O3Si/c1-18(16-24)22(25)19(2)17-26-27(23(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,18-19,22,25H,17H2,1-5H3/t18-,19-,22-/m1/s1
InChIKeyCLTHRKKKATWQAX-WOIUINJBSA-N
XLogP3.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.59
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal?
The IUPAC name of (2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal (CID 10738822) is (2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal.
What is the SMILES notation for (2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal?
The canonical SMILES for (2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal is C[C@H](C=O)[C@@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal?
The InChIKey is CLTHRKKKATWQAX-WOIUINJBSA-N. The full InChI is InChI=1S/C23H32O3Si/c1-18(16-24)22(25)19(2)17-26-27(23(3,4)5,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,18-19,22,25H,17H2,1-5H3/t18-,19-,22-/m1/s1.
What are the key properties of (2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal?
(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal has a molecular weight of 384.59 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanal is sourced from PubChem (CID 10738822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).