tert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane

C38H50O5S2Si — CID 101097113

IUPACtert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](OCc1ccccc1)[C@H]1OC(=C2SCCCS2)C[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C38H50O5S2Si/c1-38(2,3)46(4,5)42-28-34(40-26-30-18-11-7-12-19-30)36-35(41-27-31-20-13-8-14-21-31)32(39-25-29-16-9-6-10-17-29)24-33(43-36)37-44-22-15-23-45-37/h6-14,16-21,32,34-36H,15,22-28H2,1-5H3/t32-,34-,35-,36-/m1/s1
InChIKeyGDRMIKACNGZTRI-DCZZOZOESA-N
MW679.03 g/mol
LogP9.59
Rot. Bonds13

About tert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane

tert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane (PubChem CID 101097113) has the molecular formula C38H50O5S2Si and a molecular weight of 679.03 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane
PubChem CID101097113
Molecular FormulaC38H50O5S2Si
Molecular Weight679.03 g/mol
Exact Mass678.29
IUPAC Nametert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](OCc1ccccc1)[C@H]1OC(=C2SCCCS2)C[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C38H50O5S2Si/c1-38(2,3)46(4,5)42-28-34(40-26-30-18-11-7-12-19-30)36-35(41-27-31-20-13-8-14-21-31)32(39-25-29-16-9-6-10-17-29)24-33(43-36)37-44-22-15-23-45-37/h6-14,16-21,32,34-36H,15,22-28H2,1-5H3/t32-,34-,35-,36-/m1/s1
InChIKeyGDRMIKACNGZTRI-DCZZOZOESA-N
XLogP9.59
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.03
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane (CID 101097113) is tert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC[C@@H](OCc1ccccc1)[C@H]1OC(=C2SCCCS2)C[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of tert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane?
The InChIKey is GDRMIKACNGZTRI-DCZZOZOESA-N. The full InChI is InChI=1S/C38H50O5S2Si/c1-38(2,3)46(4,5)42-28-34(40-26-30-18-11-7-12-19-30)36-35(41-27-31-20-13-8-14-21-31)32(39-25-29-16-9-6-10-17-29)24-33(43-36)37-44-22-15-23-45-37/h6-14,16-21,32,34-36H,15,22-28H2,1-5H3/t32-,34-,35-,36-/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane?
tert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane has a molecular weight of 679.03 g/mol, XLogP of 9.59, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-[(2R,3R,4R)-6-(1,3-dithian-2-ylidene)-3,4-bis(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethoxy]-dimethylsilane is sourced from PubChem (CID 101097113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).