(2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal

C24H34O2SSi — CID 134940383

IUPAC(2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)O[C@H](CCc1ccccc1)[C@H](C=O)CSc1ccccc1
InChIInChI=1S/C24H34O2SSi/c1-4-28(5-2,6-3)26-24(18-17-21-13-9-7-10-14-21)22(19-25)20-27-23-15-11-8-12-16-23/h7-16,19,22,24H,4-6,17-18,20H2,1-3H3/t22-,24-/m1/s1
InChIKeyCNGOQAPLQJPEAW-ISKFKSNPSA-N
MW414.69 g/mol
LogP6.62
Rot. Bonds13

About (2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal

(2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal (PubChem CID 134940383) has the molecular formula C24H34O2SSi and a molecular weight of 414.69 g/mol. Its IUPAC name is (2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal.

Molecular Properties

Compound Name(2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal
PubChem CID134940383
Molecular FormulaC24H34O2SSi
Molecular Weight414.69 g/mol
Exact Mass414.20
IUPAC Name(2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)O[C@H](CCc1ccccc1)[C@H](C=O)CSc1ccccc1
InChIInChI=1S/C24H34O2SSi/c1-4-28(5-2,6-3)26-24(18-17-21-13-9-7-10-14-21)22(19-25)20-27-23-15-11-8-12-16-23/h7-16,19,22,24H,4-6,17-18,20H2,1-3H3/t22-,24-/m1/s1
InChIKeyCNGOQAPLQJPEAW-ISKFKSNPSA-N
XLogP6.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.69
LogP ≤ 56.62
H-Bond Donors ≤ 50
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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Related Compounds

5-Methoxy-2,2-dimethyl-6-phenyl-6-phenylsulfanylhexan-3-one
CID 14227219
5-Methoxy-4-methyl-6-phenyl-6-phenylsulfanylhexan-3-one
CID 14227221
6-Cyclohexyl-5-methoxy-2,2-dimethyl-6-phenylsulfanylhexan-3-one
CID 14227225
Trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane
CID 14961450
S-ethyl (3R,5R,7R,9S,11S,13S,15S)-16-[tert-butyl(diphenyl)silyl]oxy-3,5,7,9,11,13,15-heptamethylhexadecanethioate
CID 16757215
S-phenyl (2S,3R)-3-hydroxy-2-methyl-5-phenylpentanethioate
CID 101145100
5-Methoxy-4-methyl-6-phenylsulfanyldodecan-3-one
CID 134874868
5-Cyclohexyl-4-methoxy-5-phenylsulfanylpentan-2-one
CID 134874870
5-Methoxy-6-phenyl-6-phenylsulfanylhexan-3-one
CID 134874909
4-Methoxy-3-methyl-5-phenyl-5-phenylsulfanylpentan-2-one
CID 134874910
6-Cyclohexyl-5-methoxy-6-phenylsulfanylhexan-3-one
CID 134874912
5-Cyclohexyl-4-methoxy-3-methyl-5-phenylsulfanylpentan-2-one
CID 134874913

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal?
The IUPAC name of (2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal (CID 134940383) is (2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal.
What is the SMILES notation for (2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal?
The canonical SMILES for (2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal is CC[Si](CC)(CC)O[C@H](CCc1ccccc1)[C@H](C=O)CSc1ccccc1.
What is the InChIKey of (2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal?
The InChIKey is CNGOQAPLQJPEAW-ISKFKSNPSA-N. The full InChI is InChI=1S/C24H34O2SSi/c1-4-28(5-2,6-3)26-24(18-17-21-13-9-7-10-14-21)22(19-25)20-27-23-15-11-8-12-16-23/h7-16,19,22,24H,4-6,17-18,20H2,1-3H3/t22-,24-/m1/s1.
What are the key properties of (2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal?
(2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal has a molecular weight of 414.69 g/mol, XLogP of 6.62, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-phenyl-2-(phenylsulfanylmethyl)-3-triethylsilyloxypentanal is sourced from PubChem (CID 134940383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).