2-[tert-butyl(dimethyl)silyl]oxyhexanedial

C12H24O3Si — CID 11207293

IUPAC2-[tert-butyl(dimethyl)silyl]oxyhexanedial
SMILESCC(C)(C)[Si](C)(C)OC(C=O)CCCC=O
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-11(10-14)8-6-7-9-13/h9-11H,6-8H2,1-5H3
InChIKeyOJTFVQBODOXOQK-UHFFFAOYSA-N
MW244.41 g/mol
LogP2.94
Rot. Bonds7

About 2-[tert-butyl(dimethyl)silyl]oxyhexanedial

2-[tert-butyl(dimethyl)silyl]oxyhexanedial (PubChem CID 11207293) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxyhexanedial.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxyhexanedial
PubChem CID11207293
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxyhexanedial
SMILESCC(C)(C)[Si](C)(C)OC(C=O)CCCC=O
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-11(10-14)8-6-7-9-13/h9-11H,6-8H2,1-5H3
InChIKeyOJTFVQBODOXOQK-UHFFFAOYSA-N
XLogP2.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[(Tert-butyldimethylsilyl)oxy]pentanal
CID 85816433
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
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanal
CID 134872580
5-[Tert-butyl(dimethyl)silyl]oxyoct-6-ynal
CID 135018007
(5S)-5-triethylsilyloxyheptanal
CID 138981464
(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanal
CID 162397802
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxohexanal
CID 102368688
5-[Tert-butyl(dimethyl)silyl]oxyhexanal
CID 11218485

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyhexanedial?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxyhexanedial (CID 11207293) is 2-[tert-butyl(dimethyl)silyl]oxyhexanedial.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxyhexanedial?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxyhexanedial is CC(C)(C)[Si](C)(C)OC(C=O)CCCC=O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxyhexanedial?
The InChIKey is OJTFVQBODOXOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(4,5)15-11(10-14)8-6-7-9-13/h9-11H,6-8H2,1-5H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxyhexanedial?
2-[tert-butyl(dimethyl)silyl]oxyhexanedial has a molecular weight of 244.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxyhexanedial is sourced from PubChem (CID 11207293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).