(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal

C19H42O3Si2 — CID 135014418

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal
SMILESCC(C)[Si](OC[C@H](CC=O)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H42O3Si2/c1-15(2)24(16(3)4,17(5)6)21-14-18(12-13-20)22-23(10,11)19(7,8)9/h13,15-18H,12,14H2,1-11H3/t18-/m0/s1
InChIKeyDWEVDTWWNMONEF-SFHVURJKSA-N
MW374.71 g/mol
LogP6.16
Rot. Bonds10

About (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal (PubChem CID 135014418) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal
PubChem CID135014418
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal
SMILESCC(C)[Si](OC[C@H](CC=O)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H42O3Si2/c1-15(2)24(16(3)4,17(5)6)21-14-18(12-13-20)22-23(10,11)19(7,8)9/h13,15-18H,12,14H2,1-11H3/t18-/m0/s1
InChIKeyDWEVDTWWNMONEF-SFHVURJKSA-N
XLogP6.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.71
LogP ≤ 56.16
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)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
CID 11954976
(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
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 139249865

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal (CID 135014418) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal is CC(C)[Si](OC[C@H](CC=O)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal?
The InChIKey is DWEVDTWWNMONEF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-15(2)24(16(3)4,17(5)6)21-14-18(12-13-20)22-23(10,11)19(7,8)9/h13,15-18H,12,14H2,1-11H3/t18-/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal?
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal has a molecular weight of 374.71 g/mol, XLogP of 6.16, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxybutanal is sourced from PubChem (CID 135014418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).