tert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane

C22H48O3Si2 — CID 134974113

IUPACtert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane
SMILESCC(C)[Si](OCC1OCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C22H48O3Si2/c1-16(2)27(17(3)4,18(5)6)24-15-21-19(7)20(13-14-23-21)25-26(11,12)22(8,9)10/h16-21H,13-15H2,1-12H3/t19-,20-,21?/m1/s1
InChIKeyVCAKJOKLUYHRMZ-OSBQEZSISA-N
MW416.80 g/mol
LogP6.99
Rot. Bonds8

About tert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane

tert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane (PubChem CID 134974113) has the molecular formula C22H48O3Si2 and a molecular weight of 416.80 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane
PubChem CID134974113
Molecular FormulaC22H48O3Si2
Molecular Weight416.80 g/mol
Exact Mass416.31
IUPAC Nametert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane
SMILESCC(C)[Si](OCC1OCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C22H48O3Si2/c1-16(2)27(17(3)4,18(5)6)24-15-21-19(7)20(13-14-23-21)25-26(11,12)22(8,9)10/h16-21H,13-15H2,1-12H3/t19-,20-,21?/m1/s1
InChIKeyVCAKJOKLUYHRMZ-OSBQEZSISA-N
XLogP6.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.80
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 tert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane (CID 134974113) is tert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane is CC(C)[Si](OCC1OCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane?
The InChIKey is VCAKJOKLUYHRMZ-OSBQEZSISA-N. The full InChI is InChI=1S/C22H48O3Si2/c1-16(2)27(17(3)4,18(5)6)24-15-21-19(7)20(13-14-23-21)25-26(11,12)22(8,9)10/h16-21H,13-15H2,1-12H3/t19-,20-,21?/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane?
tert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane has a molecular weight of 416.80 g/mol, XLogP of 6.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,4R)-3-methyl-2-[tri(propan-2-yl)silyloxymethyl]oxan-4-yl]oxysilane is sourced from PubChem (CID 134974113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).