(3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal

C14H30O3Si — CID 23631392

IUPAC(3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal
SMILESCOC[C@H](CC=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30O3Si/c1-11(2)18(12(3)4,13(5)6)17-14(8-9-15)10-16-7/h9,11-14H,8,10H2,1-7H3/t14-/m0/s1
InChIKeyBGIUAHBOKDKNRS-AWEZNQCLSA-N
MW274.48 g/mol
LogP3.78
Rot. Bonds9

About (3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal

(3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal (PubChem CID 23631392) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is (3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal.

Molecular Properties

Compound Name(3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal
PubChem CID23631392
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name(3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal
SMILESCOC[C@H](CC=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30O3Si/c1-11(2)18(12(3)4,13(5)6)17-14(8-9-15)10-16-7/h9,11-14H,8,10H2,1-7H3/t14-/m0/s1
InChIKeyBGIUAHBOKDKNRS-AWEZNQCLSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.78
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

2-{3-[(Tert-butyldimethylsilyl)oxy]oxetan-3-yl}acetaldehyde
CID 155977813
(3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
CID 11954976
(r)-3-(Triethylsilyloxy)butanal
CID 24179697
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanal
CID 24806491
(3S)-3-triethylsilyloxybutanal
CID 71519941
(3R)-3-trimethylsilyloxy-4-tri(propan-2-yl)silyloxybutanal
CID 134878763
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal
CID 135014418
(2R)-2-methoxy-3-tri(propan-2-yl)silyloxypropanal
CID 135038741
(3R)-3-tri(propan-2-yl)silyloxybutanal
CID 11736693
3-Tri(propan-2-yl)silyloxybutanal
CID 46210548
3-[Butyl(dimethyl)silyl]oxy-2-methoxypropanal
CID 87848337
(2S)-2-methoxy-3-tri(propan-2-yl)silyloxypropanal
CID 171478451

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal?
The IUPAC name of (3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal (CID 23631392) is (3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal.
What is the SMILES notation for (3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal?
The canonical SMILES for (3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal is COC[C@H](CC=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal?
The InChIKey is BGIUAHBOKDKNRS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-11(2)18(12(3)4,13(5)6)17-14(8-9-15)10-16-7/h9,11-14H,8,10H2,1-7H3/t14-/m0/s1.
What are the key properties of (3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal?
(3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal has a molecular weight of 274.48 g/mol, XLogP of 3.78, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal is sourced from PubChem (CID 23631392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).