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

C10H22O3Si — CID 144859906

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)CCO
InChIInChI=1S/C10H22O3Si/c1-10(2,3)14(4,5)13-9(8-12)6-7-11/h8-9,11H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyXBAROROUHZMIQZ-VIFPVBQESA-N
MW218.37 g/mol
LogP1.96
Rot. Bonds5

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

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal (PubChem CID 144859906) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal
PubChem CID144859906
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)CCO
InChIInChI=1S/C10H22O3Si/c1-10(2,3)14(4,5)13-9(8-12)6-7-11/h8-9,11H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyXBAROROUHZMIQZ-VIFPVBQESA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
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 (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal (CID 144859906) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal is CC(C)(C)[Si](C)(C)O[C@H](C=O)CCO.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal?
The InChIKey is XBAROROUHZMIQZ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22O3Si/c1-10(2,3)14(4,5)13-9(8-12)6-7-11/h8-9,11H,6-7H2,1-5H3/t9-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal has a molecular weight of 218.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybutanal is sourced from PubChem (CID 144859906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).