5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal

C13H28O3Si — CID 102015279

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)C(O)CC=O
InChIInChI=1S/C13H28O3Si/c1-12(2,3)17(6,7)16-10-13(4,5)11(15)8-9-14/h9,11,15H,8,10H2,1-7H3
InChIKeyWGDIAAKSNXFWEY-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.98
Rot. Bonds6

About 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal

5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal (PubChem CID 102015279) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal
PubChem CID102015279
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)C(O)CC=O
InChIInChI=1S/C13H28O3Si/c1-12(2,3)17(6,7)16-10-13(4,5)11(15)8-9-14/h9,11,15H,8,10H2,1-7H3
InChIKeyWGDIAAKSNXFWEY-UHFFFAOYSA-N
XLogP2.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
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

3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol
CID 123722416
(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal
CID 44517038
7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol;7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-oxoheptanal;dichloromethane;N,N-diethylethanamine
CID 162060286
3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal
CID 101239528
(NE)-N-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropylidene]hydroxylamine
CID 121006548
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] carbamate
CID 175506306
tert-butyl-(2,2-difluoropropoxy)-dimethylsilane
CID 123170783
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-2,3-diol
CID 71545770
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal (CID 102015279) is 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal is CC(C)(CO[Si](C)(C)C(C)(C)C)C(O)CC=O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal?
The InChIKey is WGDIAAKSNXFWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-12(2,3)17(6,7)16-10-13(4,5)11(15)8-9-14/h9,11,15H,8,10H2,1-7H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal?
5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal has a molecular weight of 260.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal is sourced from PubChem (CID 102015279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).