(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde

C12H22O4Si — CID 10611248

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)[C@H]1CCC(=O)O1
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)16-10(8-13)9-6-7-11(14)15-9/h8-10H,6-7H2,1-5H3/t9-,10-/m1/s1
InChIKeyKDWLJAKCZYXOIU-NXEZZACHSA-N
MW258.39 g/mol
LogP2.28
Rot. Bonds4

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde (PubChem CID 10611248) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde
PubChem CID10611248
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H](C=O)[C@H]1CCC(=O)O1
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)16-10(8-13)9-6-7-11(14)15-9/h8-10H,6-7H2,1-5H3/t9-,10-/m1/s1
InChIKeyKDWLJAKCZYXOIU-NXEZZACHSA-N
XLogP2.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde (CID 10611248) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde is CC(C)(C)[Si](C)(C)O[C@H](C=O)[C@H]1CCC(=O)O1.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde?
The InChIKey is KDWLJAKCZYXOIU-NXEZZACHSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)16-10(8-13)9-6-7-11(14)15-9/h8-10H,6-7H2,1-5H3/t9-,10-/m1/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde has a molecular weight of 258.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde is sourced from PubChem (CID 10611248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).