(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal

C23H45NO5Si2 — CID 11102770

IUPAC(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal
SMILESCO[C@H](CC=O)C[C@@H](Cc1nc(CO[Si](C)(C)C(C)(C)C)co1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H45NO5Si2/c1-22(2,3)30(8,9)28-17-18-16-27-21(24-18)15-20(14-19(26-7)12-13-25)29-31(10,11)23(4,5)6/h13,16,19-20H,12,14-15,17H2,1-11H3/t19-,20+/m1/s1
InChIKeyXWZYQUZPLDIVRO-UXHICEINSA-N
MW471.79 g/mol
LogP6.12
Rot. Bonds12

About (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal

(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal (PubChem CID 11102770) has the molecular formula C23H45NO5Si2 and a molecular weight of 471.79 g/mol. Its IUPAC name is (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal.

Molecular Properties

Compound Name(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal
PubChem CID11102770
Molecular FormulaC23H45NO5Si2
Molecular Weight471.79 g/mol
Exact Mass471.28
IUPAC Name(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal
SMILESCO[C@H](CC=O)C[C@@H](Cc1nc(CO[Si](C)(C)C(C)(C)C)co1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H45NO5Si2/c1-22(2,3)30(8,9)28-17-18-16-27-21(24-18)15-20(14-19(26-7)12-13-25)29-31(10,11)23(4,5)6/h13,16,19-20H,12,14-15,17H2,1-11H3/t19-,20+/m1/s1
InChIKeyXWZYQUZPLDIVRO-UXHICEINSA-N
XLogP6.12
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.79
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal with MolForge

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Related Compounds

(3S,5S,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-6,6-dimethyldec-9-enal
CID 101494851
tert-butyl-dimethyl-[[2-(2-phenylethyl)-1,3-oxazol-4-yl]methoxy]silane
CID 10852985
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]pentanal
CID 20725796
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4-methoxyphenyl)methoxy]hexanal
CID 101366005
(3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-ynal
CID 11218406
(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351
1-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]pyrazol-4-amine
CID 66928495
6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-4-amine
CID 21059983
tert-butyl-[[4-[(E,1S)-1-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-enyl]-1,3-oxazol-2-yl]methoxy]-dimethylsilane
CID 102361534
2-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-4-yl]methyl]triazol-4-amine
CID 67364198
(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanal
CID 101384249
2-[(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-3-methylhexyl]-1,3-oxazole-4-carbaldehyde
CID 71490748

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal?
The IUPAC name of (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal (CID 11102770) is (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal.
What is the SMILES notation for (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal?
The canonical SMILES for (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal is CO[C@H](CC=O)C[C@@H](Cc1nc(CO[Si](C)(C)C(C)(C)C)co1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal?
The InChIKey is XWZYQUZPLDIVRO-UXHICEINSA-N. The full InChI is InChI=1S/C23H45NO5Si2/c1-22(2,3)30(8,9)28-17-18-16-27-21(24-18)15-20(14-19(26-7)12-13-25)29-31(10,11)23(4,5)6/h13,16,19-20H,12,14-15,17H2,1-11H3/t19-,20+/m1/s1.
What are the key properties of (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal?
(3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal has a molecular weight of 471.79 g/mol, XLogP of 6.12, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-3-methoxyhexanal is sourced from PubChem (CID 11102770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).