(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal

C12H24O3Si — CID 102368688

IUPAC(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CCC=O
InChIInChI=1S/C12H24O3Si/c1-10(11(14)8-7-9-13)15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyOYTLMRZKBPCJDW-JTQLQIEISA-N
MW244.41 g/mol
LogP2.94
Rot. Bonds6

About (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal

(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal (PubChem CID 102368688) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal.

Molecular Properties

Compound Name(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal
PubChem CID102368688
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CCC=O
InChIInChI=1S/C12H24O3Si/c1-10(11(14)8-7-9-13)15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyOYTLMRZKBPCJDW-JTQLQIEISA-N
XLogP2.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.94
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

2-[Tert-butyl(dimethyl)silyl]oxyheptanal
CID 11230305
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhexanal
CID 11831251
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexanal
CID 13741476
5-[Tert-butyl(dimethyl)silyl]oxyheptanal
CID 85369670
5-[Tert-butyl(dimethyl)silyl]oxyoct-6-ynal
CID 135018007
(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanal
CID 162397802
2-[Tert-butyl(dimethyl)silyl]oxy-5-methyl-4-oxohexanal
CID 101593903
5-[Tert-butyl(dimethyl)silyl]oxyhexanal
CID 11218485
(2R)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal
CID 60090939
(2S)-2-[tert-butyl(dimethyl)silyl]oxyoct-6-ynal
CID 90921045
2-[Butyl(ditert-butyl)silyl]oxyhexanal
CID 10495503

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal?
The IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal (CID 102368688) is (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal.
What is the SMILES notation for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal?
The canonical SMILES for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal is C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)CCC=O.
What is the InChIKey of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal?
The InChIKey is OYTLMRZKBPCJDW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24O3Si/c1-10(11(14)8-7-9-13)15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t10-/m0/s1.
What are the key properties of (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal?
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal has a molecular weight of 244.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal is sourced from PubChem (CID 102368688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).