[(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate

C34H37NO6Si — CID 71513915

IUPAC[(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate
SMILESCOc1ccc(C2=N[C@@]3(C(=O)C(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)=C[C@H]3OC(C)=O)[C@H](C)O2)cc1
InChIInChI=1S/C34H37NO6Si/c1-23-34(35-32(40-23)25-17-19-27(38-6)20-18-25)30(41-24(2)36)21-26(31(34)37)22-39-42(33(3,4)5,28-13-9-7-10-14-28)29-15-11-8-12-16-29/h7-21,23,30H,22H2,1-6H3/t23-,30+,34-/m0/s1
InChIKeyMUEZIAUZIWMHJL-ARECBILUSA-N
MW583.76 g/mol
LogP4.62
Rot. Bonds8

About [(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate

[(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate (PubChem CID 71513915) has the molecular formula C34H37NO6Si and a molecular weight of 583.76 g/mol. Its IUPAC name is [(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate.

Molecular Properties

Compound Name[(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate
PubChem CID71513915
Molecular FormulaC34H37NO6Si
Molecular Weight583.76 g/mol
Exact Mass583.24
IUPAC Name[(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate
SMILESCOc1ccc(C2=N[C@@]3(C(=O)C(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)=C[C@H]3OC(C)=O)[C@H](C)O2)cc1
InChIInChI=1S/C34H37NO6Si/c1-23-34(35-32(40-23)25-17-19-27(38-6)20-18-25)30(41-24(2)36)21-26(31(34)37)22-39-42(33(3,4)5,28-13-9-7-10-14-28)29-15-11-8-12-16-29/h7-21,23,30H,22H2,1-6H3/t23-,30+,34-/m0/s1
InChIKeyMUEZIAUZIWMHJL-ARECBILUSA-N
XLogP4.62
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.76
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl (4R,5R)-4-ethyl-2-(4-methoxyphenyl)-5-methyl-5H-1,3-oxazole-4-carboxylate
CID 58807302
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 142794272
[(3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]-5,6-dimethyloxan-3-yl] acetate;iodomethane
CID 91531895
methyl (1R,2R)-2-acetyloxy-1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopent-3-ene-1-carboxylate
CID 67024439
(3aS,6S,6aR)-6-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4-methoxyphenyl)methoxy]ethyl]-3a-methyl-2-phenyl-6,6a-dihydrofuro[3,4-d][1,3]oxazol-4-one
CID 102377727
[(2R,3R)-2-(4-acetamido-2-oxopyrimidin-1-yl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydrofuran-3-yl] acetate
CID 10578522
methyl (1R,2R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-dimethylcyclohex-3-ene-1-carboxylate
CID 102593768
(5R,6S,7S,8S,9R)-6-azido-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4,9-dimethyl-7-(3-prop-1-en-2-ylanilino)-3-oxa-1-azaspiro[4.4]non-1-ene-8,9-diol
CID 177424749
methyl (1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methoxy]cyclopent-3-ene-1-carboxylate
CID 102211154
(3R)-5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-methylpentan-2-one
CID 11179358
[(2R,3S,4S,5S)-4-acetyloxy-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-[(4-methoxyphenyl)methyl]-6,9-dioxo-1-oxa-7,10-diazaspiro[4.5]decan-3-yl] acetate
CID 10580365
methyl 4-(1-hydroxyethyl)-5-methyl-2-phenyl-5H-1,3-oxazole-4-carboxylate
CID 570115

Frequently Asked Questions

What is the IUPAC name of [(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate?
The IUPAC name of [(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate (CID 71513915) is [(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate.
What is the SMILES notation for [(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate?
The canonical SMILES for [(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate is COc1ccc(C2=N[C@@]3(C(=O)C(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)=C[C@H]3OC(C)=O)[C@H](C)O2)cc1.
What is the InChIKey of [(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate?
The InChIKey is MUEZIAUZIWMHJL-ARECBILUSA-N. The full InChI is InChI=1S/C34H37NO6Si/c1-23-34(35-32(40-23)25-17-19-27(38-6)20-18-25)30(41-24(2)36)21-26(31(34)37)22-39-42(33(3,4)5,28-13-9-7-10-14-28)29-15-11-8-12-16-29/h7-21,23,30H,22H2,1-6H3/t23-,30+,34-/m0/s1.
What are the key properties of [(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate?
[(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate has a molecular weight of 583.76 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S,6R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(4-methoxyphenyl)-4-methyl-9-oxo-3-oxa-1-azaspiro[4.4]nona-1,7-dien-6-yl] acetate is sourced from PubChem (CID 71513915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).