(4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal

C12H26O2Si — CID 10966326

IUPAC(4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal
SMILESC[C@H](CCC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-11(8-7-9-13)10-14-15(5,6)12(2,3)4/h9,11H,7-8,10H2,1-6H3/t11-/m1/s1
InChIKeyRMBQJVZBVJJOGJ-LLVKDONJSA-N
MW230.42 g/mol
LogP3.62
Rot. Bonds6

About (4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal

(4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal (PubChem CID 10966326) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal.

Molecular Properties

Compound Name(4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal
PubChem CID10966326
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal
SMILESC[C@H](CCC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-11(8-7-9-13)10-14-15(5,6)12(2,3)4/h9,11H,7-8,10H2,1-6H3/t11-/m1/s1
InChIKeyRMBQJVZBVJJOGJ-LLVKDONJSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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 (4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal?
The IUPAC name of (4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal (CID 10966326) is (4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal.
What is the SMILES notation for (4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal?
The canonical SMILES for (4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal is C[C@H](CCC=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal?
The InChIKey is RMBQJVZBVJJOGJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-11(8-7-9-13)10-14-15(5,6)12(2,3)4/h9,11H,7-8,10H2,1-6H3/t11-/m1/s1.
What are the key properties of (4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal?
(4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal has a molecular weight of 230.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanal is sourced from PubChem (CID 10966326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).