tert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane

C30H44O4Si — CID 135079817

IUPACtert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane
SMILESCO[C@@]1(CC[C@H](C)[C@H]2CO2)CC[C@H](C)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C30H44O4Si/c1-23(27-21-32-27)17-19-30(31-6)20-18-24(2)28(34-30)22-33-35(29(3,4)5,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-16,23-24,27-28H,17-22H2,1-6H3/t23-,24-,27+,28-,30+/m0/s1
InChIKeyASSVHUJQRLUWEF-YZWTZNMSSA-N
MW496.76 g/mol
LogP5.54
Rot. Bonds10

About tert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane (PubChem CID 135079817) has the molecular formula C30H44O4Si and a molecular weight of 496.76 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane
PubChem CID135079817
Molecular FormulaC30H44O4Si
Molecular Weight496.76 g/mol
Exact Mass496.30
IUPAC Nametert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane
SMILESCO[C@@]1(CC[C@H](C)[C@H]2CO2)CC[C@H](C)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C30H44O4Si/c1-23(27-21-32-27)17-19-30(31-6)20-18-24(2)28(34-30)22-33-35(29(3,4)5,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-16,23-24,27-28H,17-22H2,1-6H3/t23-,24-,27+,28-,30+/m0/s1
InChIKeyASSVHUJQRLUWEF-YZWTZNMSSA-N
XLogP5.54
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.76
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane (CID 135079817) is tert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane is CO[C@@]1(CC[C@H](C)[C@H]2CO2)CC[C@H](C)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane?
The InChIKey is ASSVHUJQRLUWEF-YZWTZNMSSA-N. The full InChI is InChI=1S/C30H44O4Si/c1-23(27-21-32-27)17-19-30(31-6)20-18-24(2)28(34-30)22-33-35(29(3,4)5,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-16,23-24,27-28H,17-22H2,1-6H3/t23-,24-,27+,28-,30+/m0/s1.
What are the key properties of tert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane has a molecular weight of 496.76 g/mol, XLogP of 5.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3S,6S)-6-methoxy-3-methyl-6-[(3S)-3-[(2S)-oxiran-2-yl]butyl]oxan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 135079817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).