(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal

C24H32O2Si — CID 11574459

IUPAC(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal
SMILESC=C[C@@H](C=O)C[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O2Si/c1-6-21(18-25)17-20(2)19-26-27(24(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h6-16,18,20-21H,1,17,19H2,2-5H3/t20-,21+/m0/s1
InChIKeyRQRQUELRVWBBNK-LEWJYISDSA-N
MW380.60 g/mol
LogP4.59
Rot. Bonds9

About (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal

(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal (PubChem CID 11574459) has the molecular formula C24H32O2Si and a molecular weight of 380.60 g/mol. Its IUPAC name is (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal.

Molecular Properties

Compound Name(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal
PubChem CID11574459
Molecular FormulaC24H32O2Si
Molecular Weight380.60 g/mol
Exact Mass380.22
IUPAC Name(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal
SMILESC=C[C@@H](C=O)C[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H32O2Si/c1-6-21(18-25)17-20(2)19-26-27(24(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h6-16,18,20-21H,1,17,19H2,2-5H3/t20-,21+/m0/s1
InChIKeyRQRQUELRVWBBNK-LEWJYISDSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.60
LogP ≤ 54.59
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-6-methylhept-1-en-4-ol
CID 132510490
(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691
(2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]hex-5-ene-2-sulfinic acid
CID 145359346
octasodium;bis((2R,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]hex-5-ene-2-sulfinate);bis((2S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]hex-5-ene-2-sulfinate);bis((2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]hex-5-ene-2-sulfinate);bis((2S,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]hex-5-ene-2-sulfinate)
CID 159440773
tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane
CID 11749339

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal?
The IUPAC name of (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal (CID 11574459) is (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal.
What is the SMILES notation for (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal?
The canonical SMILES for (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal is C=C[C@@H](C=O)C[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal?
The InChIKey is RQRQUELRVWBBNK-LEWJYISDSA-N. The full InChI is InChI=1S/C24H32O2Si/c1-6-21(18-25)17-20(2)19-26-27(24(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h6-16,18,20-21H,1,17,19H2,2-5H3/t20-,21+/m0/s1.
What are the key properties of (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal?
(2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal has a molecular weight of 380.60 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentanal is sourced from PubChem (CID 11574459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).