(3S)-3-triethylsilyloxybutanal

C10H22O2Si — CID 71519941

IUPAC(3S)-3-triethylsilyloxybutanal
SMILESCC[Si](CC)(CC)O[C@@H](C)CC=O
InChIInChI=1S/C10H22O2Si/c1-5-13(6-2,7-3)12-10(4)8-9-11/h9-10H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyPQHMBTSOWSIPOY-JTQLQIEISA-N
MW202.37 g/mol
LogP2.99
Rot. Bonds7

About (3S)-3-triethylsilyloxybutanal

(3S)-3-triethylsilyloxybutanal (PubChem CID 71519941) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is (3S)-3-triethylsilyloxybutanal.

Molecular Properties

Compound Name(3S)-3-triethylsilyloxybutanal
PubChem CID71519941
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name(3S)-3-triethylsilyloxybutanal
SMILESCC[Si](CC)(CC)O[C@@H](C)CC=O
InChIInChI=1S/C10H22O2Si/c1-5-13(6-2,7-3)12-10(4)8-9-11/h9-10H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyPQHMBTSOWSIPOY-JTQLQIEISA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 52.99
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)-2,2-dimethylpropanal
CID 10656375
3-((Tert-butyldimethylsilyl)oxy)-2-methylpropanal
CID 11041832
3-[(Tert-butyldimethylsilyl)oxy]-3-methylbutanal
CID 101526187
3-((Tert-butyldimethylsilyl)oxy)pentanal
CID 14280331
3-[(Tert-butyldimethylsilyl)oxy]butanal
CID 568258
(S)-(+)-3-(t-butyldimethylsilyloxy)-2-methylpropanal
CID 10241965
(S)-3-t-Butyldimethylsilyloxybutanal
CID 10867393
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentanal
CID 10846404
(2R)-3-[(tert-butyldimethylsilyl)oxy]-2-methylpropanal
CID 10965592
3-Tri(propan-2-yl)silyloxypropanal
CID 11020705
(2S)-2-tri(propan-2-yl)silyloxypropanal
CID 11075239

Frequently Asked Questions

What is the IUPAC name of (3S)-3-triethylsilyloxybutanal?
The IUPAC name of (3S)-3-triethylsilyloxybutanal (CID 71519941) is (3S)-3-triethylsilyloxybutanal.
What is the SMILES notation for (3S)-3-triethylsilyloxybutanal?
The canonical SMILES for (3S)-3-triethylsilyloxybutanal is CC[Si](CC)(CC)O[C@@H](C)CC=O.
What is the InChIKey of (3S)-3-triethylsilyloxybutanal?
The InChIKey is PQHMBTSOWSIPOY-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22O2Si/c1-5-13(6-2,7-3)12-10(4)8-9-11/h9-10H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of (3S)-3-triethylsilyloxybutanal?
(3S)-3-triethylsilyloxybutanal has a molecular weight of 202.37 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-triethylsilyloxybutanal is sourced from PubChem (CID 71519941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).