3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal

C20H47FO3Si4 — CID 11005137

IUPAC3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal
SMILESCC(C)[Si](OCCC(CC=O)O[Si](F)([Si](C)(C)C)[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H47FO3Si4/c1-17(2)27(18(3)4,19(5)6)23-16-14-20(13-15-22)24-28(21,25(7,8)9)26(10,11)12/h15,17-20H,13-14,16H2,1-12H3
InChIKeyOKADSMGLDIKRCF-UHFFFAOYSA-N
MW466.94 g/mol
LogP6.79
Rot. Bonds13

About 3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal

3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal (PubChem CID 11005137) has the molecular formula C20H47FO3Si4 and a molecular weight of 466.94 g/mol. Its IUPAC name is 3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal.

Molecular Properties

Compound Name3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal
PubChem CID11005137
Molecular FormulaC20H47FO3Si4
Molecular Weight466.94 g/mol
Exact Mass466.26
IUPAC Name3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal
SMILESCC(C)[Si](OCCC(CC=O)O[Si](F)([Si](C)(C)C)[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H47FO3Si4/c1-17(2)27(18(3)4,19(5)6)23-16-14-20(13-15-22)24-28(21,25(7,8)9)26(10,11)12/h15,17-20H,13-14,16H2,1-12H3
InChIKeyOKADSMGLDIKRCF-UHFFFAOYSA-N
XLogP6.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.94
LogP ≤ 56.79
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'}, {'alert_name': 'silicon_halogen', '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
(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-triethylsilyloxypentanal
CID 11717470
alpha-2-Deoxy-D-ribose, TMS
CID 91750433
3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethylpentanal
CID 22178202
3-O-[tert-Butyl(dimethyl)silyl]-2,4-dideoxy-2,4-dimethyl-5-O-(triethylsilyl)-L-arabinose
CID 57352133
(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentanal
CID 57788313
(2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanal
CID 59891842
3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 72825330

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal?
The IUPAC name of 3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal (CID 11005137) is 3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal.
What is the SMILES notation for 3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal?
The canonical SMILES for 3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal is CC(C)[Si](OCCC(CC=O)O[Si](F)([Si](C)(C)C)[Si](C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal?
The InChIKey is OKADSMGLDIKRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H47FO3Si4/c1-17(2)27(18(3)4,19(5)6)23-16-14-20(13-15-22)24-28(21,25(7,8)9)26(10,11)12/h15,17-20H,13-14,16H2,1-12H3.
What are the key properties of 3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal?
3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal has a molecular weight of 466.94 g/mol, XLogP of 6.79, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro-bis(trimethylsilyl)silyl]oxy-5-tri(propan-2-yl)silyloxypentanal is sourced from PubChem (CID 11005137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).