(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal

C14H30O2Si — CID 11448296

IUPAC(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal
SMILESCC(C)[Si](O[C@@H](C)[C@H](C)C=O)(C(C)C)C(C)C
InChIInChI=1S/C14H30O2Si/c1-10(2)17(11(3)4,12(5)6)16-14(8)13(7)9-15/h9-14H,1-8H3/t13-,14+/m1/s1
InChIKeyVVXFEHNHCOEAMC-KGLIPLIRSA-N
MW258.48 g/mol
LogP4.40
Rot. Bonds7

About (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal

(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal (PubChem CID 11448296) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal
PubChem CID11448296
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal
SMILESCC(C)[Si](O[C@@H](C)[C@H](C)C=O)(C(C)C)C(C)C
InChIInChI=1S/C14H30O2Si/c1-10(2)17(11(3)4,12(5)6)16-14(8)13(7)9-15/h9-14H,1-8H3/t13-,14+/m1/s1
InChIKeyVVXFEHNHCOEAMC-KGLIPLIRSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.40
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-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
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanal
CID 10910964
(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

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal?
The IUPAC name of (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal (CID 11448296) is (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal.
What is the SMILES notation for (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal?
The canonical SMILES for (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal is CC(C)[Si](O[C@@H](C)[C@H](C)C=O)(C(C)C)C(C)C.
What is the InChIKey of (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal?
The InChIKey is VVXFEHNHCOEAMC-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-10(2)17(11(3)4,12(5)6)16-14(8)13(7)9-15/h9-14H,1-8H3/t13-,14+/m1/s1.
What are the key properties of (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal?
(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal has a molecular weight of 258.48 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxybutanal is sourced from PubChem (CID 11448296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).