(2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal

C17H38O3Si2 — CID 10641348

IUPAC(2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-13-11-12-15(14-18)20-22(9,10)17(4,5)6/h14-15H,11-13H2,1-10H3/t15-/m0/s1
InChIKeyHNHBZGNAPRJYGO-HNNXBMFYSA-N
MW346.66 g/mol
LogP5.38
Rot. Bonds8

About (2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal

(2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal (PubChem CID 10641348) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is (2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal.

Molecular Properties

Compound Name(2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
PubChem CID10641348
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name(2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-13-11-12-15(14-18)20-22(9,10)17(4,5)6/h14-15H,11-13H2,1-10H3/t15-/m0/s1
InChIKeyHNHBZGNAPRJYGO-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[(Tert-butyldimethylsilyl)oxy]pentanal
CID 85816433
(2S,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanedial
CID 154707128
(2S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexanal
CID 11824558
3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 72825330
(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 144859937
2-[Butyl(ditert-butyl)silyl]oxyhexanal
CID 10495503
(4S)-4,5-bis[tri(propan-2-yl)silyloxy]pentanal
CID 10938925
Pentanal, 4,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (4S)-
CID 11089298
(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 11382425
2,6-Bis[[tert-butyl(dimethyl)silyl]oxy]hexanal
CID 19922537
(2R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 25128505
2,5-Bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 71546566

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
The IUPAC name of (2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal (CID 10641348) is (2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal.
What is the SMILES notation for (2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
The canonical SMILES for (2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal is CC(C)(C)[Si](C)(C)OCCC[C@@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
The InChIKey is HNHBZGNAPRJYGO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-13-11-12-15(14-18)20-22(9,10)17(4,5)6/h14-15H,11-13H2,1-10H3/t15-/m0/s1.
What are the key properties of (2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
(2S)-2,5-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 (2S)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal is sourced from PubChem (CID 10641348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).