4,4,8,8-tetratert-butyl-2,2,6,6-tetra(propan-2-yl)-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane

C28H64O4Si2Sn2 — CID 16696676

IUPAC4,4,8,8-tetratert-butyl-2,2,6,6-tetra(propan-2-yl)-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane
SMILESCC(C)[Si]1(C(C)C)O[Sn](C(C)(C)C)(C(C)(C)C)O[Si](C(C)C)(C(C)C)O[Sn](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/2C6H14O2Si.4C4H9.2Sn/c2*1-5(2)9(7,8)6(3)4;4*1-4(2)3;;/h2*5-6H,1-4H3;4*1-3H3;;/q2*-2;;;;;2*+2
InChIKeyJQYADQWYBHAWAA-UHFFFAOYSA-N
MW758.41 g/mol
LogP10.68
Rot. Bonds4

About 4,4,8,8-tetratert-butyl-2,2,6,6-tetra(propan-2-yl)-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane

4,4,8,8-tetratert-butyl-2,2,6,6-tetra(propan-2-yl)-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane (PubChem CID 16696676) has the molecular formula C28H64O4Si2Sn2 and a molecular weight of 758.41 g/mol. Its IUPAC name is 4,4,8,8-tetratert-butyl-2,2,6,6-tetra(propan-2-yl)-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane.

Molecular Properties

Compound Name4,4,8,8-tetratert-butyl-2,2,6,6-tetra(propan-2-yl)-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane
PubChem CID16696676
Molecular FormulaC28H64O4Si2Sn2
Molecular Weight758.41 g/mol
Exact Mass760.24
IUPAC Name4,4,8,8-tetratert-butyl-2,2,6,6-tetra(propan-2-yl)-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane
SMILESCC(C)[Si]1(C(C)C)O[Sn](C(C)(C)C)(C(C)(C)C)O[Si](C(C)C)(C(C)C)O[Sn](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/2C6H14O2Si.4C4H9.2Sn/c2*1-5(2)9(7,8)6(3)4;4*1-4(2)3;;/h2*5-6H,1-4H3;4*1-3H3;;/q2*-2;;;;;2*+2
InChIKeyJQYADQWYBHAWAA-UHFFFAOYSA-N
XLogP10.68
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.41
LogP ≤ 510.68
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 4,4,8,8-tetratert-butyl-2,2,6,6-tetra(propan-2-yl)-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane?
The IUPAC name of 4,4,8,8-tetratert-butyl-2,2,6,6-tetra(propan-2-yl)-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane (CID 16696676) is 4,4,8,8-tetratert-butyl-2,2,6,6-tetra(propan-2-yl)-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane.
What is the SMILES notation for 4,4,8,8-tetratert-butyl-2,2,6,6-tetra(propan-2-yl)-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane?
The canonical SMILES for 4,4,8,8-tetratert-butyl-2,2,6,6-tetra(propan-2-yl)-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane is CC(C)[Si]1(C(C)C)O[Sn](C(C)(C)C)(C(C)(C)C)O[Si](C(C)C)(C(C)C)O[Sn](C(C)(C)C)(C(C)(C)C)O1.
What is the InChIKey of 4,4,8,8-tetratert-butyl-2,2,6,6-tetra(propan-2-yl)-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane?
The InChIKey is JQYADQWYBHAWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14O2Si.4C4H9.2Sn/c2*1-5(2)9(7,8)6(3)4;4*1-4(2)3;;/h2*5-6H,1-4H3;4*1-3H3;;/q2*-2;;;;;2*+2.
What are the key properties of 4,4,8,8-tetratert-butyl-2,2,6,6-tetra(propan-2-yl)-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane?
4,4,8,8-tetratert-butyl-2,2,6,6-tetra(propan-2-yl)-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane has a molecular weight of 758.41 g/mol, XLogP of 10.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8,8-tetratert-butyl-2,2,6,6-tetra(propan-2-yl)-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane is sourced from PubChem (CID 16696676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).