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

C17H38O3Si2 — CID 11035400

IUPAC(3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-14(19-21(8,9)16(2,3)4)15(12-13-18)20-22(10,11)17(5,6)7/h13-15H,12H2,1-11H3/t14-,15+/m0/s1
InChIKeyRFELQBJZZVOBQC-LSDHHAIUSA-N
MW346.66 g/mol
LogP5.38
Rot. Bonds7

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

(3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal (PubChem CID 11035400) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal.

Molecular Properties

Compound Name(3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
PubChem CID11035400
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name(3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-14(19-21(8,9)16(2,3)4)15(12-13-18)20-22(10,11)17(5,6)7/h13-15H,12H2,1-11H3/t14-,15+/m0/s1
InChIKeyRFELQBJZZVOBQC-LSDHHAIUSA-N
XLogP5.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.38
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)pentanal
CID 14280331
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentanal
CID 10846404
(4R)-4-[tert-butyl(dimethyl)silyl]oxypentanal
CID 87732766
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxypentanal
CID 11336946
(3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanal
CID 11954976
(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
(3S)-3-[tert-butyl(dimethyl)silyl]oxypentanal
CID 10560697
(4S)-4-[tert-butyl(dimethyl)silyl]oxypentanal
CID 11736075
4-((tert-Butyldimethylsilyl)oxy)pentanal
CID 13494485

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
The IUPAC name of (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal (CID 11035400) is (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal.
What is the SMILES notation for (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
The canonical SMILES for (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal is C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
The InChIKey is RFELQBJZZVOBQC-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-14(19-21(8,9)16(2,3)4)15(12-13-18)20-22(10,11)17(5,6)7/h13-15H,12H2,1-11H3/t14-,15+/m0/s1.
What are the key properties of (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
(3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal has a molecular weight of 346.66 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal is sourced from PubChem (CID 11035400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).