(3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal

C16H36O3Si2 — CID 11954976

IUPAC(3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
SMILESCC(C)(C)[Si](C)(C)OC[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-15(2,3)20(7,8)18-13-14(11-12-17)19-21(9,10)16(4,5)6/h12,14H,11,13H2,1-10H3/t14-/m0/s1
InChIKeyWEOVOFWWHVRLOA-AWEZNQCLSA-N
MW332.63 g/mol
LogP4.99
Rot. Bonds7

About (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal

(3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal (PubChem CID 11954976) has the molecular formula C16H36O3Si2 and a molecular weight of 332.63 g/mol. Its IUPAC name is (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal.

Molecular Properties

Compound Name(3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
PubChem CID11954976
Molecular FormulaC16H36O3Si2
Molecular Weight332.63 g/mol
Exact Mass332.22
IUPAC Name(3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
SMILESCC(C)(C)[Si](C)(C)OC[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H36O3Si2/c1-15(2,3)20(7,8)18-13-14(11-12-17)19-21(9,10)16(4,5)6/h12,14H,11,13H2,1-10H3/t14-/m0/s1
InChIKeyWEOVOFWWHVRLOA-AWEZNQCLSA-N
XLogP4.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 54.99
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

3-[(Tert-butyldimethylsilyl)oxy]butanal
CID 568258
(S)-3-t-Butyldimethylsilyloxybutanal
CID 10867393
Butanal, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (R)-
CID 11117121
DL-Glyceraldehyde, 2TBDMS derivative
CID 71337298
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxypentanal
CID 11336946
(3S)-4-methoxy-3-tri(propan-2-yl)silyloxybutanal
CID 23631392
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanal
CID 24806491
(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
CID 71761915
(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 101425651
(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
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 139249865

Frequently Asked Questions

What is the IUPAC name of (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal?
The IUPAC name of (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal (CID 11954976) is (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal.
What is the SMILES notation for (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal?
The canonical SMILES for (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal is CC(C)(C)[Si](C)(C)OC[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal?
The InChIKey is WEOVOFWWHVRLOA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H36O3Si2/c1-15(2,3)20(7,8)18-13-14(11-12-17)19-21(9,10)16(4,5)6/h12,14H,11,13H2,1-10H3/t14-/m0/s1.
What are the key properties of (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal?
(3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal has a molecular weight of 332.63 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal is sourced from PubChem (CID 11954976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).