(1R)-1-[(2S,5R)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-2-methyloxolan-2-yl]-2-phenylmethoxyethanol

C34H46O4Si — CID 11318788

IUPAC(1R)-1-[(2S,5R)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-2-methyloxolan-2-yl]-2-phenylmethoxyethanol
SMILESCC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CC[C@@](C)([C@H](O)COCc2ccccc2)O1
InChIInChI=1S/C34H46O4Si/c1-32(2,3)39(28-18-12-8-13-19-28,29-20-14-9-15-21-29)37-26-33(4,5)31-22-23-34(6,38-31)30(35)25-36-24-27-16-10-7-11-17-27/h7-21,30-31,35H,22-26H2,1-6H3/t30-,31-,34+/m1/s1
InChIKeyCGPLPXRGEKGFFN-PSUXHBTPSA-N
MW546.82 g/mol
LogP6.10
Rot. Bonds11

About (1R)-1-[(2S,5R)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-2-methyloxolan-2-yl]-2-phenylmethoxyethanol

(1R)-1-[(2S,5R)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-2-methyloxolan-2-yl]-2-phenylmethoxyethanol (PubChem CID 11318788) has the molecular formula C34H46O4Si and a molecular weight of 546.82 g/mol. Its IUPAC name is (1R)-1-[(2S,5R)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-2-methyloxolan-2-yl]-2-phenylmethoxyethanol.

Molecular Properties

Compound Name(1R)-1-[(2S,5R)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-2-methyloxolan-2-yl]-2-phenylmethoxyethanol
PubChem CID11318788
Molecular FormulaC34H46O4Si
Molecular Weight546.82 g/mol
Exact Mass546.32
IUPAC Name(1R)-1-[(2S,5R)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-2-methyloxolan-2-yl]-2-phenylmethoxyethanol
SMILESCC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CC[C@@](C)([C@H](O)COCc2ccccc2)O1
InChIInChI=1S/C34H46O4Si/c1-32(2,3)39(28-18-12-8-13-19-28,29-20-14-9-15-21-29)37-26-33(4,5)31-22-23-34(6,38-31)30(35)25-36-24-27-16-10-7-11-17-27/h7-21,30-31,35H,22-26H2,1-6H3/t30-,31-,34+/m1/s1
InChIKeyCGPLPXRGEKGFFN-PSUXHBTPSA-N
XLogP6.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.82
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,5R)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-2-methyloxolan-2-yl]-2-phenylmethoxyethanol?
The IUPAC name of (1R)-1-[(2S,5R)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-2-methyloxolan-2-yl]-2-phenylmethoxyethanol (CID 11318788) is (1R)-1-[(2S,5R)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-2-methyloxolan-2-yl]-2-phenylmethoxyethanol.
What is the SMILES notation for (1R)-1-[(2S,5R)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-2-methyloxolan-2-yl]-2-phenylmethoxyethanol?
The canonical SMILES for (1R)-1-[(2S,5R)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-2-methyloxolan-2-yl]-2-phenylmethoxyethanol is CC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CC[C@@](C)([C@H](O)COCc2ccccc2)O1.
What is the InChIKey of (1R)-1-[(2S,5R)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-2-methyloxolan-2-yl]-2-phenylmethoxyethanol?
The InChIKey is CGPLPXRGEKGFFN-PSUXHBTPSA-N. The full InChI is InChI=1S/C34H46O4Si/c1-32(2,3)39(28-18-12-8-13-19-28,29-20-14-9-15-21-29)37-26-33(4,5)31-22-23-34(6,38-31)30(35)25-36-24-27-16-10-7-11-17-27/h7-21,30-31,35H,22-26H2,1-6H3/t30-,31-,34+/m1/s1.
What are the key properties of (1R)-1-[(2S,5R)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-2-methyloxolan-2-yl]-2-phenylmethoxyethanol?
(1R)-1-[(2S,5R)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-2-methyloxolan-2-yl]-2-phenylmethoxyethanol has a molecular weight of 546.82 g/mol, XLogP of 6.10, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,5R)-5-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-2-methyloxolan-2-yl]-2-phenylmethoxyethanol is sourced from PubChem (CID 11318788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).