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

C12H22O4Si — CID 85205070

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxooxolan-2-yl)acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC(C=O)C1CCC(=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
InChIKeyKDWLJAKCZYXOIU-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.28
Rot. Bonds4

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

2-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxooxolan-2-yl)acetaldehyde (PubChem CID 85205070) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxooxolan-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxooxolan-2-yl)acetaldehyde
PubChem CID85205070
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxooxolan-2-yl)acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC(C=O)C1CCC(=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
InChIKeyKDWLJAKCZYXOIU-UHFFFAOYSA-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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Related Compounds

methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde
CID 10611248
Idonic acid, 2,3,5,6-tetrakis-O-(trimethylsilyl)-, lactone
CID 523382
Glucaric acid, 2,3,5-tris-O-(trimethylsilyl)-, gamma-lactone, 6-(trimethylsilyl) ester
CID 553475
Glucuronic lactone, tris(trimethylsilyl)-
CID 553539
(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11490601
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-5-oxooxolan-2-yl]-2-triethylsilyloxypropanal
CID 11784419
methyl (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 102587266
(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 134849405
(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
CID 134854516
(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
CID 134931202
(2S,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
CID 134931206

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxooxolan-2-yl)acetaldehyde?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxooxolan-2-yl)acetaldehyde (CID 85205070) is 2-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxooxolan-2-yl)acetaldehyde.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxooxolan-2-yl)acetaldehyde?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxooxolan-2-yl)acetaldehyde is CC(C)(C)[Si](C)(C)OC(C=O)C1CCC(=O)O1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxooxolan-2-yl)acetaldehyde?
The InChIKey is KDWLJAKCZYXOIU-UHFFFAOYSA-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.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxooxolan-2-yl)acetaldehyde?
2-[tert-butyl(dimethyl)silyl]oxy-2-(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 2-[tert-butyl(dimethyl)silyl]oxy-2-(5-oxooxolan-2-yl)acetaldehyde is sourced from PubChem (CID 85205070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).