(3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal

C14H30O5Si — CID 46944342

IUPAC(3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal
SMILESCOCO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CC=O)OC
InChIInChI=1S/C14H30O5Si/c1-14(2,3)20(6,7)19-10-13(18-11-16-4)12(17-5)8-9-15/h9,12-13H,8,10-11H2,1-7H3/t12-,13-/m1/s1
InChIKeyJUQLDLKWHFPWNH-CHWSQXEVSA-N
MW306.48 g/mol
LogP2.60
Rot. Bonds10

About (3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal

(3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal (PubChem CID 46944342) has the molecular formula C14H30O5Si and a molecular weight of 306.48 g/mol. Its IUPAC name is (3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal.

Molecular Properties

Compound Name(3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal
PubChem CID46944342
Molecular FormulaC14H30O5Si
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name(3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal
SMILESCOCO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CC=O)OC
InChIInChI=1S/C14H30O5Si/c1-14(2,3)20(6,7)19-10-13(18-11-16-4)12(17-5)8-9-15/h9,12-13H,8,10-11H2,1-7H3/t12-,13-/m1/s1
InChIKeyJUQLDLKWHFPWNH-CHWSQXEVSA-N
XLogP2.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 11162038
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-trimethylsilylethoxymethoxy)pentanal
CID 25105485
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanal
CID 134892479
methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)pentanoate
CID 134916473
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal
CID 135039433
2-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 146166570
2-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 102147340
[(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-5-oxopentyl] 2,2-dimethylpropanoate
CID 10523606
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal
CID 10806514
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)butanal
CID 10870507
2-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 10902736
3,3-Dimethoxy-5-triethylsilyloxypentanal
CID 10945718

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal?
The IUPAC name of (3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal (CID 46944342) is (3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal.
What is the SMILES notation for (3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal?
The canonical SMILES for (3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal is COCO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CC=O)OC.
What is the InChIKey of (3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal?
The InChIKey is JUQLDLKWHFPWNH-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H30O5Si/c1-14(2,3)20(6,7)19-10-13(18-11-16-4)12(17-5)8-9-15/h9,12-13H,8,10-11H2,1-7H3/t12-,13-/m1/s1.
What are the key properties of (3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal?
(3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal has a molecular weight of 306.48 g/mol, XLogP of 2.60, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal is sourced from PubChem (CID 46944342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).