2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde

C13H24O4Si — CID 11054822

IUPAC2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C(=O)CCO[C@H]1CC=O
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(4,5)17-12-10(15)7-9-16-11(12)6-8-14/h8,11-12H,6-7,9H2,1-5H3/t11-,12-/m0/s1
InChIKeyNTTJEAPSSZRNHH-RYUDHWBXSA-N
MW272.42 g/mol
LogP2.32
Rot. Bonds4

About 2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde

2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde (PubChem CID 11054822) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde
PubChem CID11054822
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C(=O)CCO[C@H]1CC=O
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(4,5)17-12-10(15)7-9-16-11(12)6-8-14/h8,11-12H,6-7,9H2,1-5H3/t11-,12-/m0/s1
InChIKeyNTTJEAPSSZRNHH-RYUDHWBXSA-N
XLogP2.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.32
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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Related Compounds

2-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetaldehyde
CID 23248665
(2R,3R,6R)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070170
(2R,3R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-6-methyloxan-4-one
CID 23253063
(2R,3R,6S)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070171
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-oxan-2-yl]acetaldehyde
CID 60088515
2-[(2S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxooxan-2-yl]acetaldehyde
CID 11680809
1-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]propan-2-one
CID 11737367

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde (CID 11054822) is 2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1C(=O)CCO[C@H]1CC=O.
What is the InChIKey of 2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde?
The InChIKey is NTTJEAPSSZRNHH-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-13(2,3)18(4,5)17-12-10(15)7-9-16-11(12)6-8-14/h8,11-12H,6-7,9H2,1-5H3/t11-,12-/m0/s1.
What are the key properties of 2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde?
2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde has a molecular weight of 272.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxooxan-2-yl]acetaldehyde is sourced from PubChem (CID 11054822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).