[(1R)-1,3-bis(methoxymethoxy)-4-methyl-1-[(2S)-oxiran-2-yl]pentan-2-yl]oxy-tert-butyl-dimethylsilane

C18H38O6Si — CID 177389408

IUPAC[(1R)-1,3-bis(methoxymethoxy)-4-methyl-1-[(2S)-oxiran-2-yl]pentan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCOCOC(C(C)C)C(O[Si](C)(C)C(C)(C)C)[C@H](OCOC)[C@@H]1CO1
InChIInChI=1S/C18H38O6Si/c1-13(2)15(22-11-19-6)17(24-25(8,9)18(3,4)5)16(14-10-21-14)23-12-20-7/h13-17H,10-12H2,1-9H3/t14-,15?,16+,17?/m0/s1
InChIKeyFQDNWILBGIFPIA-ORBLRFAASA-N
MW378.58 g/mol
LogP3.41
Rot. Bonds12

About [(1R)-1,3-bis(methoxymethoxy)-4-methyl-1-[(2S)-oxiran-2-yl]pentan-2-yl]oxy-tert-butyl-dimethylsilane

[(1R)-1,3-bis(methoxymethoxy)-4-methyl-1-[(2S)-oxiran-2-yl]pentan-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 177389408) has the molecular formula C18H38O6Si and a molecular weight of 378.58 g/mol. Its IUPAC name is [(1R)-1,3-bis(methoxymethoxy)-4-methyl-1-[(2S)-oxiran-2-yl]pentan-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R)-1,3-bis(methoxymethoxy)-4-methyl-1-[(2S)-oxiran-2-yl]pentan-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID177389408
Molecular FormulaC18H38O6Si
Molecular Weight378.58 g/mol
Exact Mass378.24
IUPAC Name[(1R)-1,3-bis(methoxymethoxy)-4-methyl-1-[(2S)-oxiran-2-yl]pentan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCOCOC(C(C)C)C(O[Si](C)(C)C(C)(C)C)[C@H](OCOC)[C@@H]1CO1
InChIInChI=1S/C18H38O6Si/c1-13(2)15(22-11-19-6)17(24-25(8,9)18(3,4)5)16(14-10-21-14)23-12-20-7/h13-17H,10-12H2,1-9H3/t14-,15?,16+,17?/m0/s1
InChIKeyFQDNWILBGIFPIA-ORBLRFAASA-N
XLogP3.41
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.58
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-(oxiran-2-yl)heptoxy]-dimethylsilane
CID 135016312
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]propoxy]silane
CID 87355723
tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane
CID 87130449
tert-butyl-[(2S,3R)-3-(methoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
CID 10978227
(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol
CID 15280451
(2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol
CID 11474668
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane
CID 87356118
(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(2R)-oxiran-2-yl]but-3-en-1-ol
CID 46187581
tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]-3-trimethylsilylprop-2-ynoxy]silane
CID 10946011
(2R,3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(methoxymethoxy)hexanal
CID 11611502
methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate
CID 99772362
[(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane
CID 56946984

Frequently Asked Questions

What is the IUPAC name of [(1R)-1,3-bis(methoxymethoxy)-4-methyl-1-[(2S)-oxiran-2-yl]pentan-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R)-1,3-bis(methoxymethoxy)-4-methyl-1-[(2S)-oxiran-2-yl]pentan-2-yl]oxy-tert-butyl-dimethylsilane (CID 177389408) is [(1R)-1,3-bis(methoxymethoxy)-4-methyl-1-[(2S)-oxiran-2-yl]pentan-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R)-1,3-bis(methoxymethoxy)-4-methyl-1-[(2S)-oxiran-2-yl]pentan-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R)-1,3-bis(methoxymethoxy)-4-methyl-1-[(2S)-oxiran-2-yl]pentan-2-yl]oxy-tert-butyl-dimethylsilane is COCOC(C(C)C)C(O[Si](C)(C)C(C)(C)C)[C@H](OCOC)[C@@H]1CO1.
What is the InChIKey of [(1R)-1,3-bis(methoxymethoxy)-4-methyl-1-[(2S)-oxiran-2-yl]pentan-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is FQDNWILBGIFPIA-ORBLRFAASA-N. The full InChI is InChI=1S/C18H38O6Si/c1-13(2)15(22-11-19-6)17(24-25(8,9)18(3,4)5)16(14-10-21-14)23-12-20-7/h13-17H,10-12H2,1-9H3/t14-,15?,16+,17?/m0/s1.
What are the key properties of [(1R)-1,3-bis(methoxymethoxy)-4-methyl-1-[(2S)-oxiran-2-yl]pentan-2-yl]oxy-tert-butyl-dimethylsilane?
[(1R)-1,3-bis(methoxymethoxy)-4-methyl-1-[(2S)-oxiran-2-yl]pentan-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 378.58 g/mol, XLogP of 3.41, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1,3-bis(methoxymethoxy)-4-methyl-1-[(2S)-oxiran-2-yl]pentan-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 177389408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).