2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane

C28H63FO4Si2Sn2 — CID 16709489

IUPAC2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-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](C(C)(C)C)(C(C)(C)C)O[Sn](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C8H18O2Si.C4H9FO2Si.4C4H9.2Sn/c1-7(2,3)11(9,10)8(4,5)6;1-4(2,3)8(5,6)7;4*1-4(2)3;;/h1-6H3;1-3H3;4*1-3H3;;/q2*-2;;;;;2*+2
InChIKeyKNEOWRWIQAGCMO-UHFFFAOYSA-N
MW776.40 g/mol
LogP10.90
Rot. Bonds

About 2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane

2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane (PubChem CID 16709489) has the molecular formula C28H63FO4Si2Sn2 and a molecular weight of 776.40 g/mol. Its IUPAC name is 2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane.

Molecular Properties

Compound Name2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane
PubChem CID16709489
Molecular FormulaC28H63FO4Si2Sn2
Molecular Weight776.40 g/mol
Exact Mass778.23
IUPAC Name2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-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](C(C)(C)C)(C(C)(C)C)O[Sn](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C8H18O2Si.C4H9FO2Si.4C4H9.2Sn/c1-7(2,3)11(9,10)8(4,5)6;1-4(2,3)8(5,6)7;4*1-4(2)3;;/h1-6H3;1-3H3;4*1-3H3;;/q2*-2;;;;;2*+2
InChIKeyKNEOWRWIQAGCMO-UHFFFAOYSA-N
XLogP10.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.40
LogP ≤ 510.90
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'}

Analyze 2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,4,4,6,6,8,8-Octapropyl-[1,3,5,7,2,4,6,8]tetroxatetrasilocane
CID 6426577
Bis(di-t-butyl-fluoro-siloxy)di-t-butylstannane
CID 16709472
1,1,3,5,5,7-Hexa-t-butyl-3,7-difluoro-2,4,6,8-tetraoxa-3,7-disila-1,5-distannacyclooctane
CID 16709481
3,3,7,7-Tetra-t-butyl-1,1,5,5-tetraisopropyl-2,4,6,8-tetraoxa-1,5-disila-3,7-distannacyclooctane
CID 16696676
2,2,4,4,6,6,8,8-Octa(propan-2-yl)-1,3,5,7,2,4,6,8-tetroxatetrasilocane
CID 23084998
Tetrabutyltetraethylcyclotetrasiloxane
CID 129814420
2,4,6,8-Tetrabutyl-2,4,6,8-tetramethylcyclotetrasiloxane
CID 84593
2,2-Di-t-butylcyclotetrasiloxan
CID 129643846
2,2,6,6-Tetratert-butyl-4,4,8,8-tetra(propan-2-yl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 21605036
2,4,6,8-Tetramethyl-2,4,6,8-tetrapropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 13445287
CID 20593143
CID 20593143
2,6-Dibutyl-2,4,6,8-tetramethyl-4,8-dipropyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 22084409

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane?
The IUPAC name of 2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane (CID 16709489) is 2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane.
What is the SMILES notation for 2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane?
The canonical SMILES for 2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-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](C(C)(C)C)(C(C)(C)C)O[Sn](C(C)(C)C)(C(C)(C)C)O1.
What is the InChIKey of 2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane?
The InChIKey is KNEOWRWIQAGCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si.C4H9FO2Si.4C4H9.2Sn/c1-7(2,3)11(9,10)8(4,5)6;1-4(2,3)8(5,6)7;4*1-4(2)3;;/h1-6H3;1-3H3;4*1-3H3;;/q2*-2;;;;;2*+2.
What are the key properties of 2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane?
2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane has a molecular weight of 776.40 g/mol, XLogP of 10.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,8,8-heptatert-butyl-6-fluoro-1,3,5,7,2,6,4,8-tetraoxadisiladistannocane is sourced from PubChem (CID 16709489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).