(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

C38H41NO6Si — CID 102377727

IUPAC(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
SMILESCOc1ccc(CO[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(=O)[C@@]3(C)N=C(c4ccccc4)O[C@@H]23)cc1
InChIInChI=1S/C38H41NO6Si/c1-37(2,3)46(30-17-11-7-12-18-30,31-19-13-8-14-20-31)43-26-32(42-25-27-21-23-29(41-5)24-22-27)33-34-38(4,36(40)44-33)39-35(45-34)28-15-9-6-10-16-28/h6-24,32-34H,25-26H2,1-5H3/t32-,33+,34-,38-/m0/s1
InChIKeyBFMWPXGMUUITDH-OXWPWTPBSA-N
MW635.83 g/mol
LogP5.69
Rot. Bonds11

About (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

(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 (PubChem CID 102377727) has the molecular formula C38H41NO6Si and a molecular weight of 635.83 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID102377727
Molecular FormulaC38H41NO6Si
Molecular Weight635.83 g/mol
Exact Mass635.27
IUPAC Name(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
SMILESCOc1ccc(CO[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(=O)[C@@]3(C)N=C(c4ccccc4)O[C@@H]23)cc1
InChIInChI=1S/C38H41NO6Si/c1-37(2,3)46(30-17-11-7-12-18-30,31-19-13-8-14-20-31)43-26-32(42-25-27-21-23-29(41-5)24-22-27)33-34-38(4,36(40)44-33)39-35(45-34)28-15-9-6-10-16-28/h6-24,32-34H,25-26H2,1-5H3/t32-,33+,34-,38-/m0/s1
InChIKeyBFMWPXGMUUITDH-OXWPWTPBSA-N
XLogP5.69
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.83
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(5R)-5-[(1R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-[(4-methoxyphenyl)methoxy]-6-methyl-2-methylideneheptyl]oxolan-2-one
CID 102361173
5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]pentanal
CID 75162787
(3R,4R,6S)-7-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-4,6-dimethylheptanal
CID 23636317
tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane
CID 101416747
(3S,4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-3-phenylmethoxyhexan-2-one
CID 11753665
(2R,5S,6R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-6-[(4-methoxyphenyl)methoxy]-5-methyl-2,5,6,7-tetrahydrooxocin-8-one
CID 177428846
(Z,4S,7R)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]non-5-en-2-one
CID 71726038
[(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
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 142794272
tert-butyl-[(2R,3R)-3-[(2S)-1-[(4-methoxyphenyl)-diphenylmethyl]aziridin-2-yl]-2,3-bis[(4-methoxyphenyl)methoxy]propoxy]-diphenylsilane
CID 10463397
(4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(4-methoxyphenyl)methoxymethoxy]-2-methylpent-1-en-3-one
CID 11734175
tert-butyl-[(3Z,5S)-2-ethyl-5-[(4-methoxyphenyl)methoxy]octa-3,7-dienoxy]-diphenylsilane
CID 71726043

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc(CO[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(=O)[C@@]3(C)N=C(c4ccccc4)O[C@@H]23)cc1.
What is the InChIKey of (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?
The InChIKey is BFMWPXGMUUITDH-OXWPWTPBSA-N. The full InChI is InChI=1S/C38H41NO6Si/c1-37(2,3)46(30-17-11-7-12-18-30,31-19-13-8-14-20-31)43-26-32(42-25-27-21-23-29(41-5)24-22-27)33-34-38(4,36(40)44-33)39-35(45-34)28-15-9-6-10-16-28/h6-24,32-34H,25-26H2,1-5H3/t32-,33+,34-,38-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 635.83 g/mol, XLogP of 5.69, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 102377727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).