(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal

C14H30O4Si — CID 46218225

IUPAC(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal
SMILESCOCO[C@@H](CC=O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-12(18-19(6,7)14(2,3)4)10-13(8-9-15)17-11-16-5/h9,12-13H,8,10-11H2,1-7H3/t12-,13-/m0/s1
InChIKeyHTEYCRQETBDXHV-STQMWFEESA-N
MW290.48 g/mol
LogP3.36
Rot. Bonds9

About (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal

(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal (PubChem CID 46218225) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal.

Molecular Properties

Compound Name(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal
PubChem CID46218225
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal
SMILESCOCO[C@@H](CC=O)C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-12(18-19(6,7)14(2,3)4)10-13(8-9-15)17-11-16-5/h9,12-13H,8,10-11H2,1-7H3/t12-,13-/m0/s1
InChIKeyHTEYCRQETBDXHV-STQMWFEESA-N
XLogP3.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 53.36
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

(3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-(methoxymethoxy)pentanal
CID 46944342
(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal
CID 134970267
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethoxypentanal
CID 135039433
(3S,5S)-3,5-bis(Methoxymethoxy)hexanal
CID 145864770
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5,5-di(propan-2-yloxy)pentanal
CID 10806514
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
(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methylpentanal
CID 46899842
2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 70675864
(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)tetradecanal
CID 71479563
3-[Tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2,4-dimethylpentanal
CID 164187447

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal?
The IUPAC name of (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal (CID 46218225) is (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal.
What is the SMILES notation for (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal?
The canonical SMILES for (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal is COCO[C@@H](CC=O)C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal?
The InChIKey is HTEYCRQETBDXHV-STQMWFEESA-N. The full InChI is InChI=1S/C14H30O4Si/c1-12(18-19(6,7)14(2,3)4)10-13(8-9-15)17-11-16-5/h9,12-13H,8,10-11H2,1-7H3/t12-,13-/m0/s1.
What are the key properties of (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal?
(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal has a molecular weight of 290.48 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hexanal is sourced from PubChem (CID 46218225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).