(3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal

C11H24O2Si — CID 10560697

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal
SMILESCC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-7-10(8-9-12)13-14(5,6)11(2,3)4/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyHSUANBFMJXCZPR-JTQLQIEISA-N
MW216.40 g/mol
LogP3.38
Rot. Bonds5

About (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal

(3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal (PubChem CID 10560697) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal
PubChem CID10560697
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal
SMILESCC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-7-10(8-9-12)13-14(5,6)11(2,3)4/h9-10H,7-8H2,1-6H3/t10-/m0/s1
InChIKeyHSUANBFMJXCZPR-JTQLQIEISA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.38
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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Related Compounds

3-((Tert-butyldimethylsilyl)oxy)propanal
CID 3662392
3-[(Tert-butyldimethylsilyl)oxy]-3-methylbutanal
CID 101526187
3-((Tert-butyldimethylsilyl)oxy)pentanal
CID 14280331
2-{1-[(Tert-butyldimethylsilyl)oxy]cyclopropyl}acetaldehyde
CID 86614119
3-[(Tert-butyldimethylsilyl)oxy]butanal
CID 568258
(S)-3-t-Butyldimethylsilyloxybutanal
CID 10867393
2-[(Tert-butyldimethylsilyl)oxy]pentanal
CID 85816433
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanal
CID 10911390
(2R,3R)-3-((tert-butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 11118283
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentanal
CID 10846404
(2S,3S)-3-(t-Butyldimethylsilyloxy)-2-methylhexanal
CID 10879364
Butanal, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (R)-
CID 11117121

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal (CID 10560697) is (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal is CC[C@@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal?
The InChIKey is HSUANBFMJXCZPR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24O2Si/c1-7-10(8-9-12)13-14(5,6)11(2,3)4/h9-10H,7-8H2,1-6H3/t10-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal?
(3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal has a molecular weight of 216.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal is sourced from PubChem (CID 10560697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).