(4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde

C13H26O3Si — CID 11402683

IUPAC(4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde
SMILESC[C@H]1CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]1C=O
InChIInChI=1S/C13H26O3Si/c1-10-9-15-17(12(2,3)4,13(5,6)7)16-11(10)8-14/h8,10-11H,9H2,1-7H3/t10-,11-/m0/s1
InChIKeyQRFUXJQJCSFHRY-QWRGUYRKSA-N
MW258.43 g/mol
LogP3.28
Rot. Bonds1

About (4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde

(4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde (PubChem CID 11402683) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde
PubChem CID11402683
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde
SMILESC[C@H]1CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]1C=O
InChIInChI=1S/C13H26O3Si/c1-10-9-15-17(12(2,3)4,13(5,6)7)16-11(10)8-14/h8,10-11H,9H2,1-7H3/t10-,11-/m0/s1
InChIKeyQRFUXJQJCSFHRY-QWRGUYRKSA-N
XLogP3.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
CID 10910964
(2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal
CID 11737026
2-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-3-methylbutanal
CID 14486745
(4R)-2,2-ditert-butyl-1,3,2-dioxasilinane-4-carbaldehyde
CID 10890159
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-4-triethylsilyloxybutanal
CID 11131794
(2R)-3-Methyl-2-{[tri(propan-2-yl)silyl]oxy}butanal
CID 71367502
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
CID 101009497

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde?
The IUPAC name of (4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde (CID 11402683) is (4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde.
What is the SMILES notation for (4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde?
The canonical SMILES for (4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde is C[C@H]1CO[Si](C(C)(C)C)(C(C)(C)C)O[C@H]1C=O.
What is the InChIKey of (4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde?
The InChIKey is QRFUXJQJCSFHRY-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-10-9-15-17(12(2,3)4,13(5,6)7)16-11(10)8-14/h8,10-11H,9H2,1-7H3/t10-,11-/m0/s1.
What are the key properties of (4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde?
(4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde has a molecular weight of 258.43 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2,2-ditert-butyl-5-methyl-1,3,2-dioxasilinane-4-carbaldehyde is sourced from PubChem (CID 11402683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).