3,3-dimethoxy-5-triethylsilyloxypentanal

C13H28O4Si — CID 10945718

IUPAC3,3-dimethoxy-5-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)OCCC(CC=O)(OC)OC
InChIInChI=1S/C13H28O4Si/c1-6-18(7-2,8-3)17-12-10-13(15-4,16-5)9-11-14/h11H,6-10,12H2,1-5H3
InChIKeyBVPCCJVLWISKOQ-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.98
Rot. Bonds11

About 3,3-dimethoxy-5-triethylsilyloxypentanal

3,3-dimethoxy-5-triethylsilyloxypentanal (PubChem CID 10945718) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is 3,3-dimethoxy-5-triethylsilyloxypentanal.

Molecular Properties

Compound Name3,3-dimethoxy-5-triethylsilyloxypentanal
PubChem CID10945718
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name3,3-dimethoxy-5-triethylsilyloxypentanal
SMILESCC[Si](CC)(CC)OCCC(CC=O)(OC)OC
InChIInChI=1S/C13H28O4Si/c1-6-18(7-2,8-3)17-12-10-13(15-4,16-5)9-11-14/h11H,6-10,12H2,1-5H3
InChIKeyBVPCCJVLWISKOQ-UHFFFAOYSA-N
XLogP2.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Methyl (3R)-3-(((1,1-dimethylethyl)dimethylsilyl)oxy)-5-oxopentanoate
CID 11065195
(3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal
CID 46944342
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal
CID 135039433
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 90222513
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 10106693
[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-oxopentan-3-yl] acetate
CID 10869507
(3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal
CID 10890218
(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal
CID 46218225
(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal
CID 46899842
(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxypentanal
CID 46944384

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-5-triethylsilyloxypentanal?
The IUPAC name of 3,3-dimethoxy-5-triethylsilyloxypentanal (CID 10945718) is 3,3-dimethoxy-5-triethylsilyloxypentanal.
What is the SMILES notation for 3,3-dimethoxy-5-triethylsilyloxypentanal?
The canonical SMILES for 3,3-dimethoxy-5-triethylsilyloxypentanal is CC[Si](CC)(CC)OCCC(CC=O)(OC)OC.
What is the InChIKey of 3,3-dimethoxy-5-triethylsilyloxypentanal?
The InChIKey is BVPCCJVLWISKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si/c1-6-18(7-2,8-3)17-12-10-13(15-4,16-5)9-11-14/h11H,6-10,12H2,1-5H3.
What are the key properties of 3,3-dimethoxy-5-triethylsilyloxypentanal?
3,3-dimethoxy-5-triethylsilyloxypentanal has a molecular weight of 276.45 g/mol, XLogP of 2.98, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-5-triethylsilyloxypentanal is sourced from PubChem (CID 10945718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).