(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde

C12H22O4Si — CID 150066859

IUPAC(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](C=O)O[C@@H]1C=O
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)16-10-6-9(7-13)15-11(10)8-14/h7-11H,6H2,1-5H3/t9-,10+,11-/m1/s1
InChIKeyDOLNYNVGUJRDHO-OUAUKWLOSA-N
MW258.39 g/mol
LogP1.93
Rot. Bonds4

About (2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde

(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde (PubChem CID 150066859) has the molecular formula C12H22O4Si and a molecular weight of 258.39 g/mol. Its IUPAC name is (2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde.

Molecular Properties

Compound Name(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde
PubChem CID150066859
Molecular FormulaC12H22O4Si
Molecular Weight258.39 g/mol
Exact Mass258.13
IUPAC Name(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H](C=O)O[C@@H]1C=O
InChIInChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)16-10-6-9(7-13)15-11(10)8-14/h7-11H,6H2,1-5H3/t9-,10+,11-/m1/s1
InChIKeyDOLNYNVGUJRDHO-OUAUKWLOSA-N
XLogP1.93
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 ≤ 51.93
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

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 11305043
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R)-5-oxooxolan-2-yl]acetaldehyde
CID 10611248
3-[Tert-butyl(dimethyl)silyl]oxy-4-fluorooxolane-2-carbaldehyde
CID 175762163
methyl (4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 102587266
(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carbaldehyde
CID 134854516
(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-5-(3-oxopropyl)-1,3-dioxolane-4-carbaldehyde
CID 134887006
(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
2,2-Dimethyl-5-[2-(2-trimethylsilylethoxymethoxy)-propyl]-[1,3]dioxolane-4-carboxaldehyde
CID 552050
(2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3,4-trimethoxypentanal
CID 18654075
CID 59137184
CID 59137184
CID 60105641
CID 60105641

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde?
The IUPAC name of (2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde (CID 150066859) is (2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde.
What is the SMILES notation for (2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde?
The canonical SMILES for (2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](C=O)O[C@@H]1C=O.
What is the InChIKey of (2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde?
The InChIKey is DOLNYNVGUJRDHO-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H22O4Si/c1-12(2,3)17(4,5)16-10-6-9(7-13)15-11(10)8-14/h7-11H,6H2,1-5H3/t9-,10+,11-/m1/s1.
What are the key properties of (2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde?
(2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde has a molecular weight of 258.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,5-dicarbaldehyde is sourced from PubChem (CID 150066859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).