(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal

C10H22O2Si — CID 11052702

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal
SMILESCC[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O2Si/c1-7-9(8-11)12-13(5,6)10(2,3)4/h8-9H,7H2,1-6H3/t9-/m1/s1
InChIKeyNKHQBMYOUZUYKH-SECBINFHSA-N
MW202.37 g/mol
LogP2.99
Rot. Bonds4

About (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal

(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal (PubChem CID 11052702) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal
PubChem CID11052702
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal
SMILESCC[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O2Si/c1-7-9(8-11)12-13(5,6)10(2,3)4/h8-9H,7H2,1-6H3/t9-/m1/s1
InChIKeyNKHQBMYOUZUYKH-SECBINFHSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

2-((Tert-butyldimethylsilyl)oxy)acetaldehyde
CID 4187788
(2R)-2-[(tert-butyldimethylsilyl)oxy]propanal
CID 10987035
2-((Tert-butyldimethylsilyl)oxy)propanal
CID 10932206
(2S)-2-[(tert-butyldimethylsilyl)oxy]propanal
CID 10954305
1-[(Tert-butyldimethylsilyl)oxy]cyclopropane-1-carbaldehyde
CID 14778630
2-((Tert-butyldimethylsilyl)oxy)-2-methylpropanal
CID 25191670
3-[(Tert-butyldimethylsilyl)oxy]butanal
CID 568258
(S)-3-t-Butyldimethylsilyloxybutanal
CID 10867393
2-Butanone, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11041831
2-[(Tert-butyldimethylsilyl)oxy]pentanal
CID 85816433
2-((Tert-butyldimethylsilyl)oxy)-2-methylbutanal
CID 155858286
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
CID 10910964

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal (CID 11052702) is (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal is CC[C@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal?
The InChIKey is NKHQBMYOUZUYKH-SECBINFHSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-7-9(8-11)12-13(5,6)10(2,3)4/h8-9H,7H2,1-6H3/t9-/m1/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal?
(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal has a molecular weight of 202.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanal is sourced from PubChem (CID 11052702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).