(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal

C17H38O3Si2 — CID 11089298

IUPAC(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
SMILESCC(C)(C)[Si](C)(C)OC[C@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-14-15(12-11-13-18)20-22(9,10)17(4,5)6/h13,15H,11-12,14H2,1-10H3/t15-/m0/s1
InChIKeyOUGNHTDBGGTNLS-HNNXBMFYSA-N
MW346.66 g/mol
LogP5.38
Rot. Bonds8

About (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal

(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal (PubChem CID 11089298) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal.

Molecular Properties

Compound Name(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
PubChem CID11089298
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
SMILESCC(C)(C)[Si](C)(C)OC[C@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-14-15(12-11-13-18)20-22(9,10)17(4,5)6/h13,15H,11-12,14H2,1-10H3/t15-/m0/s1
InChIKeyOUGNHTDBGGTNLS-HNNXBMFYSA-N
XLogP5.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
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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Frequently Asked Questions

What is the IUPAC name of (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
The IUPAC name of (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal (CID 11089298) is (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal.
What is the SMILES notation for (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
The canonical SMILES for (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal is CC(C)(C)[Si](C)(C)OC[C@H](CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
The InChIKey is OUGNHTDBGGTNLS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-14-15(12-11-13-18)20-22(9,10)17(4,5)6/h13,15H,11-12,14H2,1-10H3/t15-/m0/s1.
What are the key properties of (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
(4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal has a molecular weight of 346.66 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal is sourced from PubChem (CID 11089298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).