3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane

C12H24O4Si — CID 59459638

IUPAC3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane
SMILESCC(C)(C)C1CO[Si]2(OCC(C(C)(C)C)O2)O1
InChIInChI=1S/C12H24O4Si/c1-11(2,3)9-7-13-17(15-9)14-8-10(16-17)12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyBBIGLEDDKVGRHC-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.35
Rot. Bonds

About 3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane

3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane (PubChem CID 59459638) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane.

Molecular Properties

Compound Name3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane
PubChem CID59459638
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane
SMILESCC(C)(C)C1CO[Si]2(OCC(C(C)(C)C)O2)O1
InChIInChI=1S/C12H24O4Si/c1-11(2,3)9-7-13-17(15-9)14-8-10(16-17)12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyBBIGLEDDKVGRHC-UHFFFAOYSA-N
XLogP2.35
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
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 3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane?
The IUPAC name of 3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane (CID 59459638) is 3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane.
What is the SMILES notation for 3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane?
The canonical SMILES for 3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane is CC(C)(C)C1CO[Si]2(OCC(C(C)(C)C)O2)O1.
What is the InChIKey of 3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane?
The InChIKey is BBIGLEDDKVGRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-11(2,3)9-7-13-17(15-9)14-8-10(16-17)12(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane?
3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane has a molecular weight of 260.41 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-ditert-butyl-1,4,6,9-tetraoxa-5-silaspiro[4.4]nonane is sourced from PubChem (CID 59459638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).