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

C12H26O2Si — CID 11138971

IUPAC(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
SMILESCC(C=O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-10(9-13)8-11(2)14-15(6,7)12(3,4)5/h9-11H,8H2,1-7H3/t10?,11-/m0/s1
InChIKeyFEJMMFBCDXRQMA-DTIOYNMSSA-N
MW230.42 g/mol
LogP3.62
Rot. Bonds5

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

(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal (PubChem CID 11138971) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal.

Molecular Properties

Compound Name(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
PubChem CID11138971
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
SMILESCC(C=O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-10(9-13)8-11(2)14-15(6,7)12(3,4)5/h9-11H,8H2,1-7H3/t10?,11-/m0/s1
InChIKeyFEJMMFBCDXRQMA-DTIOYNMSSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.62
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,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal?
The IUPAC name of (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal (CID 11138971) is (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal.
What is the SMILES notation for (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal?
The canonical SMILES for (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal is CC(C=O)C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal?
The InChIKey is FEJMMFBCDXRQMA-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-10(9-13)8-11(2)14-15(6,7)12(3,4)5/h9-11H,8H2,1-7H3/t10?,11-/m0/s1.
What are the key properties of (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal?
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal has a molecular weight of 230.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal is sourced from PubChem (CID 11138971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).