(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal

C16H26O2Si — CID 71584616

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)CCc1ccccc1
InChIInChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-15(13-17)12-11-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3/t15-/m0/s1
InChIKeyLGAVLRNNQPBTOJ-HNNXBMFYSA-N
MW278.47 g/mol
LogP4.21
Rot. Bonds6

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal (PubChem CID 71584616) has the molecular formula C16H26O2Si and a molecular weight of 278.47 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal
PubChem CID71584616
Molecular FormulaC16H26O2Si
Molecular Weight278.47 g/mol
Exact Mass278.17
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)CCc1ccccc1
InChIInChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-15(13-17)12-11-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3/t15-/m0/s1
InChIKeyLGAVLRNNQPBTOJ-HNNXBMFYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal (CID 71584616) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal is CC(C)(C)[Si](C)(C)O[C@H](C=O)CCc1ccccc1.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal?
The InChIKey is LGAVLRNNQPBTOJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26O2Si/c1-16(2,3)19(4,5)18-15(13-17)12-11-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3/t15-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal has a molecular weight of 278.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanal is sourced from PubChem (CID 71584616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).