(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal

C12H26O2Si — CID 45102973

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

About (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal

(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal (PubChem CID 45102973) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal.

Molecular Properties

Compound Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal
PubChem CID45102973
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC=O
InChIInChI=1S/C12H26O2Si/c1-10(8-9-13)11(2)14-15(6,7)12(3,4)5/h9-11H,8H2,1-7H3/t10-,11-/m0/s1
InChIKeyXMMWIFFKPMBKGT-QWRGUYRKSA-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 (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal?
The IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal (CID 45102973) is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal.
What is the SMILES notation for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal?
The canonical SMILES for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC=O.
What is the InChIKey of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal?
The InChIKey is XMMWIFFKPMBKGT-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-10(8-9-13)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 (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal?
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-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 (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanal is sourced from PubChem (CID 45102973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).