(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal

C14H30O2Si — CID 132501470

IUPAC(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal
SMILESCC(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C14H30O2Si/c1-11(2)9-13(12(3)10-15)16-17(7,8)14(4,5)6/h10-13H,9H2,1-8H3/t12-,13-/m0/s1
InChIKeyGDJQBIZIIYNERB-STQMWFEESA-N
MW258.48 g/mol
LogP4.26
Rot. Bonds6

About (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal (PubChem CID 132501470) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal
PubChem CID132501470
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal
SMILESCC(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C14H30O2Si/c1-11(2)9-13(12(3)10-15)16-17(7,8)14(4,5)6/h10-13H,9H2,1-8H3/t12-,13-/m0/s1
InChIKeyGDJQBIZIIYNERB-STQMWFEESA-N
XLogP4.26
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 ≤ 54.26
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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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal?
The IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal (CID 132501470) is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal?
The canonical SMILES for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal is CC(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O.
What is the InChIKey of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal?
The InChIKey is GDJQBIZIIYNERB-STQMWFEESA-N. The full InChI is InChI=1S/C14H30O2Si/c1-11(2)9-13(12(3)10-15)16-17(7,8)14(4,5)6/h10-13H,9H2,1-8H3/t12-,13-/m0/s1.
What are the key properties of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal?
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal has a molecular weight of 258.48 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhexanal is sourced from PubChem (CID 132501470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).