(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal

C17H38O3Si2 — CID 11382425

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

About (3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal

(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal (PubChem CID 11382425) has the molecular formula C17H38O3Si2 and a molecular weight of 346.66 g/mol. Its IUPAC name is (3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal.

Molecular Properties

Compound Name(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
PubChem CID11382425
Molecular FormulaC17H38O3Si2
Molecular Weight346.66 g/mol
Exact Mass346.24
IUPAC Name(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
SMILESCC(C)(C)[Si](C)(C)OCC[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-14-12-15(11-13-18)20-22(9,10)17(4,5)6/h13,15H,11-12,14H2,1-10H3/t15-/m0/s1
InChIKeyNTDFQFXALDMCDX-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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Related Compounds

(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal
CID 10861695
D-2-Deoxyribose, 3TMS derivative
CID 553079
(2S,3S,4R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4-dimethylpentanal
CID 11003293
(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 11111192
(2R,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentanal
CID 11245787
(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-triethylsilyloxypentanal
CID 11336946
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-triethylsilyloxypentanal
CID 11717470
(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-triethylsilyloxyhexanal
CID 72701907
(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpentanal
CID 134963669
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 139249865
3-[Fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal
CID 11005137
alpha-2-Deoxy-D-ribose, TMS
CID 91750433

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
The IUPAC name of (3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal (CID 11382425) is (3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal.
What is the SMILES notation for (3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
The canonical SMILES for (3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal is CC(C)(C)[Si](C)(C)OCC[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
The InChIKey is NTDFQFXALDMCDX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H38O3Si2/c1-16(2,3)21(7,8)19-14-12-15(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 (3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal?
(3R)-3,5-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 (3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal is sourced from PubChem (CID 11382425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).