6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal

C15H32O2Si — CID 10468489

IUPAC6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal
SMILESCC(CC=O)CCCO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-13(2)15(4,5)18(6,7)17-12-8-9-14(3)10-11-16/h11,13-14H,8-10,12H2,1-7H3
InChIKeyIPRLLXOFWBWWNG-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.65
Rot. Bonds9

About 6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal

6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal (PubChem CID 10468489) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is 6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal.

Molecular Properties

Compound Name6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal
PubChem CID10468489
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal
SMILESCC(CC=O)CCCO[Si](C)(C)C(C)(C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-13(2)15(4,5)18(6,7)17-12-8-9-14(3)10-11-16/h11,13-14H,8-10,12H2,1-7H3
InChIKeyIPRLLXOFWBWWNG-UHFFFAOYSA-N
XLogP4.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

6-[(Tert-butyldimethylsilyl)oxy]hexanal
CID 11128129
(4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 10944672
6-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhexanal
CID 87905809
(2S)-6-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylhexanal
CID 15838480
(3S,4R)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyhexanal
CID 10870323
(5S)-5-methyl-6-tri(propan-2-yl)silyloxyhexanal
CID 11243147
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanal
CID 14014588
6-[Tert-butyl(dimethyl)silyl]oxy-3-methylhexanal
CID 21579085
(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-ynal
CID 134844755
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanal
CID 134872580
cis-(1S,2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carbaldehyde
CID 154716210
3-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpentanal
CID 21580437

Frequently Asked Questions

What is the IUPAC name of 6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal?
The IUPAC name of 6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal (CID 10468489) is 6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal.
What is the SMILES notation for 6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal?
The canonical SMILES for 6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal is CC(CC=O)CCCO[Si](C)(C)C(C)(C)C(C)C.
What is the InChIKey of 6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal?
The InChIKey is IPRLLXOFWBWWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-13(2)15(4,5)18(6,7)17-12-8-9-14(3)10-11-16/h11,13-14H,8-10,12H2,1-7H3.
What are the key properties of 6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal?
6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal has a molecular weight of 272.50 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhexanal is sourced from PubChem (CID 10468489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).