(4R,5R)-2,2-ditert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane

C17H36O2Si — CID 148853034

IUPAC(4R,5R)-2,2-ditert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane
SMILESCC(C)[C@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1C(C)C
InChIInChI=1S/C17H36O2Si/c1-12(2)14-11-18-20(16(5,6)7,17(8,9)10)19-15(14)13(3)4/h12-15H,11H2,1-10H3/t14-,15+/m0/s1
InChIKeyOXVFQCUIFVKHND-LSDHHAIUSA-N
MW300.56 g/mol
LogP5.37
Rot. Bonds2

About (4R,5R)-2,2-ditert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane

(4R,5R)-2,2-ditert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane (PubChem CID 148853034) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (4R,5R)-2,2-ditert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane.

Molecular Properties

Compound Name(4R,5R)-2,2-ditert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane
PubChem CID148853034
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(4R,5R)-2,2-ditert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane
SMILESCC(C)[C@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1C(C)C
InChIInChI=1S/C17H36O2Si/c1-12(2)14-11-18-20(16(5,6)7,17(8,9)10)19-15(14)13(3)4/h12-15H,11H2,1-10H3/t14-,15+/m0/s1
InChIKeyOXVFQCUIFVKHND-LSDHHAIUSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4R,5R)-2,2-ditert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane?
The IUPAC name of (4R,5R)-2,2-ditert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane (CID 148853034) is (4R,5R)-2,2-ditert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane.
What is the SMILES notation for (4R,5R)-2,2-ditert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane?
The canonical SMILES for (4R,5R)-2,2-ditert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane is CC(C)[C@H]1O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]1C(C)C.
What is the InChIKey of (4R,5R)-2,2-ditert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane?
The InChIKey is OXVFQCUIFVKHND-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-12(2)14-11-18-20(16(5,6)7,17(8,9)10)19-15(14)13(3)4/h12-15H,11H2,1-10H3/t14-,15+/m0/s1.
What are the key properties of (4R,5R)-2,2-ditert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane?
(4R,5R)-2,2-ditert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane has a molecular weight of 300.56 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2-ditert-butyl-4,5-di(propan-2-yl)-1,3,2-dioxasilinane is sourced from PubChem (CID 148853034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).