(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal

C18H38O5Si — CID 134970267

IUPAC(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal
SMILESCOCCOCO[C@@H](C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C18H38O5Si/c1-14(12-19)17(23-24(8,9)18(4,5)6)15(2)16(3)22-13-21-11-10-20-7/h12,14-17H,10-11,13H2,1-9H3/t14-,15-,16-,17+/m0/s1
InChIKeyFRGZUOHCSWQNML-LUKYLMHMSA-N
MW362.58 g/mol
LogP3.87
Rot. Bonds12

About (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal

(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal (PubChem CID 134970267) has the molecular formula C18H38O5Si and a molecular weight of 362.58 g/mol. Its IUPAC name is (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal.

Molecular Properties

Compound Name(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal
PubChem CID134970267
Molecular FormulaC18H38O5Si
Molecular Weight362.58 g/mol
Exact Mass362.25
IUPAC Name(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal
SMILESCOCCOCO[C@@H](C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O
InChIInChI=1S/C18H38O5Si/c1-14(12-19)17(23-24(8,9)18(4,5)6)15(2)16(3)22-13-21-11-10-20-7/h12,14-17H,10-11,13H2,1-9H3/t14-,15-,16-,17+/m0/s1
InChIKeyFRGZUOHCSWQNML-LUKYLMHMSA-N
XLogP3.87
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.58
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal with MolForge

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Related Compounds

2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde
CID 11348626
(2R,3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(methoxymethoxy)hexanal
CID 11611502
(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-(oxan-2-yloxy)hexanal
CID 14061503
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-6-tri(propan-2-yl)silyloxyhexanal
CID 57792654
(3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal
CID 175882115
(2S,3S,4S,5S,6S)-3-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyheptanedial
CID 10089944
(3R,4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5-dimethylhexanal
CID 10519630
(4R,5R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-4,6-dimethylheptanal
CID 10592730
(3S,4R,5R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxy-4-methylhexanal
CID 11090770
(4S,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-4,6-dimethylheptanal
CID 11174969
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal?
The IUPAC name of (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal (CID 134970267) is (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal.
What is the SMILES notation for (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal?
The canonical SMILES for (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal is COCCOCO[C@@H](C)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=O.
What is the InChIKey of (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal?
The InChIKey is FRGZUOHCSWQNML-LUKYLMHMSA-N. The full InChI is InChI=1S/C18H38O5Si/c1-14(12-19)17(23-24(8,9)18(4,5)6)15(2)16(3)22-13-21-11-10-20-7/h12,14-17H,10-11,13H2,1-9H3/t14-,15-,16-,17+/m0/s1.
What are the key properties of (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal?
(2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal has a molecular weight of 362.58 g/mol, XLogP of 3.87, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-methoxyethoxymethoxy)-2,4-dimethylhexanal is sourced from PubChem (CID 134970267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).