(E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-2-phenylmethoxypent-4-enal

C24H32O3Si — CID 11090574

IUPAC(E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-2-phenylmethoxypent-4-enal
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=C/c1ccccc1)[C@H](C=O)OCc1ccccc1
InChIInChI=1S/C24H32O3Si/c1-24(2,3)28(4,5)27-22(17-16-20-12-8-6-9-13-20)23(18-25)26-19-21-14-10-7-11-15-21/h6-18,22-23H,19H2,1-5H3/b17-16+/t22-,23-/m0/s1
InChIKeyNHYSNTQUSWCRCB-IMIBNIMFSA-N
MW396.60 g/mol
LogP5.87
Rot. Bonds9

About (E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-2-phenylmethoxypent-4-enal

(E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-2-phenylmethoxypent-4-enal (PubChem CID 11090574) has the molecular formula C24H32O3Si and a molecular weight of 396.60 g/mol. Its IUPAC name is (E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-2-phenylmethoxypent-4-enal.

Molecular Properties

Compound Name(E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-2-phenylmethoxypent-4-enal
PubChem CID11090574
Molecular FormulaC24H32O3Si
Molecular Weight396.60 g/mol
Exact Mass396.21
IUPAC Name(E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-2-phenylmethoxypent-4-enal
SMILESCC(C)(C)[Si](C)(C)O[C@@H](/C=C/c1ccccc1)[C@H](C=O)OCc1ccccc1
InChIInChI=1S/C24H32O3Si/c1-24(2,3)28(4,5)27-22(17-16-20-12-8-6-9-13-20)23(18-25)26-19-21-14-10-7-11-15-21/h6-18,22-23H,19H2,1-5H3/b17-16+/t22-,23-/m0/s1
InChIKeyNHYSNTQUSWCRCB-IMIBNIMFSA-N
XLogP5.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.60
LogP ≤ 55.87
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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Frequently Asked Questions

What is the IUPAC name of (E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-2-phenylmethoxypent-4-enal?
The IUPAC name of (E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-2-phenylmethoxypent-4-enal (CID 11090574) is (E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-2-phenylmethoxypent-4-enal.
What is the SMILES notation for (E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-2-phenylmethoxypent-4-enal?
The canonical SMILES for (E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-2-phenylmethoxypent-4-enal is CC(C)(C)[Si](C)(C)O[C@@H](/C=C/c1ccccc1)[C@H](C=O)OCc1ccccc1.
What is the InChIKey of (E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-2-phenylmethoxypent-4-enal?
The InChIKey is NHYSNTQUSWCRCB-IMIBNIMFSA-N. The full InChI is InChI=1S/C24H32O3Si/c1-24(2,3)28(4,5)27-22(17-16-20-12-8-6-9-13-20)23(18-25)26-19-21-14-10-7-11-15-21/h6-18,22-23H,19H2,1-5H3/b17-16+/t22-,23-/m0/s1.
What are the key properties of (E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-2-phenylmethoxypent-4-enal?
(E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-2-phenylmethoxypent-4-enal has a molecular weight of 396.60 g/mol, XLogP of 5.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenyl-2-phenylmethoxypent-4-enal is sourced from PubChem (CID 11090574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).