(2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal

C14H30O2Si — CID 46237117

IUPAC(2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
SMILESCC[C@H](C)C[C@@](C)(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-9-12(2)10-14(6,11-15)16-17(7,8)13(3,4)5/h11-12H,9-10H2,1-8H3/t12-,14-/m0/s1
InChIKeyIYZZODFCDLPGPO-JSGCOSHPSA-N
MW258.48 g/mol
LogP4.40
Rot. Bonds6

About (2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal

(2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal (PubChem CID 46237117) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal.

Molecular Properties

Compound Name(2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
PubChem CID46237117
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
SMILESCC[C@H](C)C[C@@](C)(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O2Si/c1-9-12(2)10-14(6,11-15)16-17(7,8)13(3,4)5/h11-12H,9-10H2,1-8H3/t12-,14-/m0/s1
InChIKeyIYZZODFCDLPGPO-JSGCOSHPSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpropanal
CID 44517038
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
(E)-5-methoxy-5,7-dimethylnon-3-en-2-one
CID 87290984
tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane
CID 173222661
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
(3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-7-ene-1,3-diol
CID 91130793
tert-butyl-dimethyl-(2-methyl-4-triethylsilyloxypentan-2-yl)oxysilane
CID 138965929
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
tert-butyl-dimethyl-(13-methylpentadecoxy)silane
CID 6430276
[3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropyl] methanesulfonate
CID 175551678
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-(3-methylbutyl)hexanoate
CID 134864009
methane;2,2,4-trimethylhexane
CID 159659116

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal?
The IUPAC name of (2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal (CID 46237117) is (2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal.
What is the SMILES notation for (2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal?
The canonical SMILES for (2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal is CC[C@H](C)C[C@@](C)(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal?
The InChIKey is IYZZODFCDLPGPO-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-9-12(2)10-14(6,11-15)16-17(7,8)13(3,4)5/h11-12H,9-10H2,1-8H3/t12-,14-/m0/s1.
What are the key properties of (2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal?
(2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal has a molecular weight of 258.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal is sourced from PubChem (CID 46237117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).