(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal

C16H34O4Si — CID 102255367

IUPAC(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal
SMILESCC(C)O[C@@H](C=O)[C@H](CO[Si](C)(C)C(C)(C)C)OC(C)C
InChIInChI=1S/C16H34O4Si/c1-12(2)19-14(10-17)15(20-13(3)4)11-18-21(8,9)16(5,6)7/h10,12-15H,11H2,1-9H3/t14-,15-/m0/s1
InChIKeyGJGKXDZMIWEGDR-GJZGRUSLSA-N
MW318.53 g/mol
LogP3.79
Rot. Bonds9

About (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal

(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal (PubChem CID 102255367) has the molecular formula C16H34O4Si and a molecular weight of 318.53 g/mol. Its IUPAC name is (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal.

Molecular Properties

Compound Name(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal
PubChem CID102255367
Molecular FormulaC16H34O4Si
Molecular Weight318.53 g/mol
Exact Mass318.22
IUPAC Name(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal
SMILESCC(C)O[C@@H](C=O)[C@H](CO[Si](C)(C)C(C)(C)C)OC(C)C
InChIInChI=1S/C16H34O4Si/c1-12(2)19-14(10-17)15(20-13(3)4)11-18-21(8,9)16(5,6)7/h10,12-15H,11H2,1-9H3/t14-,15-/m0/s1
InChIKeyGJGKXDZMIWEGDR-GJZGRUSLSA-N
XLogP3.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.79
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,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde
CID 13841080
(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde
CID 11356378
(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde
CID 46193206
(2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde
CID 89393450
(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde
CID 89393452
5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxane-2-carbaldehyde
CID 123339609
(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carbaldehyde
CID 124011382
(2R,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde
CID 10497945
(2S,3R,5S,6S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde
CID 10569762
(2R,3S,5R,6R)-3-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxaldehyde
CID 10593882
(2S,3S,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carbaldehyde
CID 11462195
(2S,3S)-3-({[Tert-butyl(dimethyl)silyl]oxy}methyl)-2-oxiranecarbaldehyde
CID 21604451

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal?
The IUPAC name of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal (CID 102255367) is (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal.
What is the SMILES notation for (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal?
The canonical SMILES for (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal is CC(C)O[C@@H](C=O)[C@H](CO[Si](C)(C)C(C)(C)C)OC(C)C.
What is the InChIKey of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal?
The InChIKey is GJGKXDZMIWEGDR-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H34O4Si/c1-12(2)19-14(10-17)15(20-13(3)4)11-18-21(8,9)16(5,6)7/h10,12-15H,11H2,1-9H3/t14-,15-/m0/s1.
What are the key properties of (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal?
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal has a molecular weight of 318.53 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-di(propan-2-yloxy)butanal is sourced from PubChem (CID 102255367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).