(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal

C18H30O3Si — CID 11067249

IUPAC(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H](C=O)OCc1ccccc1
InChIInChI=1S/C18H30O3Si/c1-18(2,3)22(4,5)21-13-9-12-17(14-19)20-15-16-10-7-6-8-11-16/h6-8,10-11,14,17H,9,12-13,15H2,1-5H3/t17-/m0/s1
InChIKeyUZMMDGNENUVRMM-KRWDZBQOSA-N
MW322.52 g/mol
LogP4.57
Rot. Bonds9

About (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal

(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal (PubChem CID 11067249) has the molecular formula C18H30O3Si and a molecular weight of 322.52 g/mol. Its IUPAC name is (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal.

Molecular Properties

Compound Name(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
PubChem CID11067249
Molecular FormulaC18H30O3Si
Molecular Weight322.52 g/mol
Exact Mass322.20
IUPAC Name(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H](C=O)OCc1ccccc1
InChIInChI=1S/C18H30O3Si/c1-18(2,3)22(4,5)21-13-9-12-17(14-19)20-15-16-10-7-6-8-11-16/h6-8,10-11,14,17H,9,12-13,15H2,1-5H3/t17-/m0/s1
InChIKeyUZMMDGNENUVRMM-KRWDZBQOSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.52
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal?
The IUPAC name of (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal (CID 11067249) is (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal.
What is the SMILES notation for (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal?
The canonical SMILES for (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal is CC(C)(C)[Si](C)(C)OCCC[C@@H](C=O)OCc1ccccc1.
What is the InChIKey of (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal?
The InChIKey is UZMMDGNENUVRMM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30O3Si/c1-18(2,3)22(4,5)21-13-9-12-17(14-19)20-15-16-10-7-6-8-11-16/h6-8,10-11,14,17H,9,12-13,15H2,1-5H3/t17-/m0/s1.
What are the key properties of (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal?
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal has a molecular weight of 322.52 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal is sourced from PubChem (CID 11067249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).