4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal

C17H38O3Si2 — CID 169444971

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal
SMILESCC(C)(C)[Si](C)(C)OCC(CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-13-15(11-12-18)14-20-22(9,10)17(4,5)6/h12,15H,11,13-14H2,1-10H3
InChIKeyFWDJOELTYVDNTF-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.24
Rot. Bonds8

About 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal

4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal (PubChem CID 169444971) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal
PubChem CID169444971
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal
SMILESCC(C)(C)[Si](C)(C)OCC(CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-13-15(11-12-18)14-20-22(9,10)17(4,5)6/h12,15H,11,13-14H2,1-10H3
InChIKeyFWDJOELTYVDNTF-UHFFFAOYSA-N
XLogP5.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(R)-4-(tert-Butyldimethylsilyloxy)-2-methylbutanal
CID 23727930
(S)-4-((tert-Butyldimethylsilyl)oxy)-3-methylbutanal
CID 14930679
3-Formyl-1,5-bis(tert-butyldimethylsilyloxy)pentane
CID 14293483
(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
CID 71761915
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanal
CID 121223198
4-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylbutanal
CID 10727476
(2S,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal
CID 10988077
Butanal, 3-methyl-4-[[tris(1-methylethyl)silyl]oxy]-, (3S)-
CID 11242368
3-[Tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propanal
CID 14185910
(S)-4-[(tert-Butyldimethylsilyl)oxy]-3-methylbutanal
CID 19737461
3-Methyl-4-tri(propan-2-yl)silyloxybutanal
CID 72765947
4-[Tert-butyl(dimethyl)silyl]oxy-2,3-dimethylbutanal
CID 85357217

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal (CID 169444971) is 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal is CC(C)(C)[Si](C)(C)OCC(CC=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal?
The InChIKey is FWDJOELTYVDNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-13-15(11-12-18)14-20-22(9,10)17(4,5)6/h12,15H,11,13-14H2,1-10H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal?
4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal has a molecular weight of 346.66 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]butanal is sourced from PubChem (CID 169444971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).