2,4,4,6,8,8-hexatert-butyl-2,6-difluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane

C24H54F2O4Si2Sn2 — CID 16709481

IUPAC2,4,4,6,8,8-hexatert-butyl-2,6-difluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane
SMILESCC(C)(C)[Si]1(F)O[Sn](C(C)(C)C)(C(C)(C)C)O[Si](F)(C(C)(C)C)O[Sn](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/2C4H9FO2Si.4C4H9.2Sn/c2*1-4(2,3)8(5,6)7;4*1-4(2)3;;/h2*1-3H3;4*1-3H3;;/q2*-2;;;;;2*+2
InChIKeyUIMVEXMBUVJMLB-UHFFFAOYSA-N
MW738.28 g/mol
LogP9.57
Rot. Bonds

About 2,4,4,6,8,8-hexatert-butyl-2,6-difluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane

2,4,4,6,8,8-hexatert-butyl-2,6-difluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane (PubChem CID 16709481) has the molecular formula C24H54F2O4Si2Sn2 and a molecular weight of 738.28 g/mol. Its IUPAC name is 2,4,4,6,8,8-hexatert-butyl-2,6-difluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane.

Molecular Properties

Compound Name2,4,4,6,8,8-hexatert-butyl-2,6-difluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane
PubChem CID16709481
Molecular FormulaC24H54F2O4Si2Sn2
Molecular Weight738.28 g/mol
Exact Mass740.16
IUPAC Name2,4,4,6,8,8-hexatert-butyl-2,6-difluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane
SMILESCC(C)(C)[Si]1(F)O[Sn](C(C)(C)C)(C(C)(C)C)O[Si](F)(C(C)(C)C)O[Sn](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/2C4H9FO2Si.4C4H9.2Sn/c2*1-4(2,3)8(5,6)7;4*1-4(2)3;;/h2*1-3H3;4*1-3H3;;/q2*-2;;;;;2*+2
InChIKeyUIMVEXMBUVJMLB-UHFFFAOYSA-N
XLogP9.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.28
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,4,6,8,8-hexatert-butyl-2,6-difluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane?
The IUPAC name of 2,4,4,6,8,8-hexatert-butyl-2,6-difluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane (CID 16709481) is 2,4,4,6,8,8-hexatert-butyl-2,6-difluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane.
What is the SMILES notation for 2,4,4,6,8,8-hexatert-butyl-2,6-difluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane?
The canonical SMILES for 2,4,4,6,8,8-hexatert-butyl-2,6-difluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane is CC(C)(C)[Si]1(F)O[Sn](C(C)(C)C)(C(C)(C)C)O[Si](F)(C(C)(C)C)O[Sn](C(C)(C)C)(C(C)(C)C)O1.
What is the InChIKey of 2,4,4,6,8,8-hexatert-butyl-2,6-difluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane?
The InChIKey is UIMVEXMBUVJMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9FO2Si.4C4H9.2Sn/c2*1-4(2,3)8(5,6)7;4*1-4(2)3;;/h2*1-3H3;4*1-3H3;;/q2*-2;;;;;2*+2.
What are the key properties of 2,4,4,6,8,8-hexatert-butyl-2,6-difluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane?
2,4,4,6,8,8-hexatert-butyl-2,6-difluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane has a molecular weight of 738.28 g/mol, XLogP of 9.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,6,8,8-hexatert-butyl-2,6-difluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane is sourced from PubChem (CID 16709481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).